Publications

Updated 07/20/2023

Publications

1. S. G. Louie and M. L. Cohen, “Electronic structure of cesium under pressure“,Phys. Rev. B 10, 3237 (1974).
2. S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, “Local-Field Effects in the Optical Spectrum of Silicon“, Phys. Rev. Lett. 34, 155 (1975).
3. M. Schluter, J. R. Chelikowsky, S. G. Louie, and M. L. Cohen, “Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2×1) Reconstructed Surfaces“, Phys. Rev. Lett. 34, 1385 (1975).
4. M. Schluter, J. R. Chelikowsky, S. G. Louie, and M. L.Cohen, “Self-consistent pseudopotential calculations for Si (111) surfaces: Unreconstructed (1×1) and reconstructed (2 x 1) model structures“, Phys. Rev. B 12, 4200 (1975).
5. J. R. Chelikowsky, M. Schluter, S. G. Louie, and M. L.Cohen, “Self-Consistent Pseudopotential Calculation for the (111) Surface of Aluminum“, Solid State Comm. 17, 1103 (1975).
6. M. L. Cohen, M. Schluter, J. R. Chelikowsky, and S. G. Louie, “Self-consistent pseudopotential method for localized configurations: Molecules“, Phys. Rev. B 12, 5575 (1975).
7. S. G. Louie and M. L. Cohen, “Self-Consistent Pseudopotential Calculation for a Metal-Semiconductor Interface“, Phys. Rev. Lett. 35, 866 (1975). [Erratum: Phys. Rev. Lett. 36, 173 (1976).]
8. S. G. Louie, M. Schluter, J. R. Chelikowsky, and M. L. Cohen, “Self-consistent electronic states for reconstructed Si vacancy models“, Phys. Rev. B 13, 1654 (1976).
9. S. G. Louie and M. L. Cohen, “Electronic structure of a metal-semiconductor interface“, Phys. Rev. B 13, 2461 (1976).
10. J. R. Chelikowsky, S. G. Louie, and M. L. Cohen, “Surface States and Metal Overlayers on the (110) Surface of GaAs“, Solid State Comm. 20, 641 (1976).
11. S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, “Theory of semiconductor surface states and metal-semiconductor interfaces“, J. Vac. Sci. Technol. 13, 790 (1976).
12. S. G. Louie, K. M. Ho, J. R. Chelikowsky, and M. L. Cohen, “Surface States on the (001) Surface of Nb“, Phys. Rev. Lett. 37, 1289 (1976).
13. J. R. Chelikowsky, S. G. Louie, and M. L. Cohen, “Relaxation effects on the (110) surface of GaAs“, Phys. Rev. B 14, 4724 (1976).
14. S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, “Ionicity and the theory of Schottky barriers“, Phys. Rev. B 15, 2154 (1977).
15. M. L. Cohen and S. G. Louie, “Some Comments on the Excitonic Mechanism of Superconductivity”, in Superconductivity in d- and f-Band Metals, ed. D. H. Douglass (Plenum Press, New York, 1976), p. 7.
16. K. M. Ho, S. G. Louie, J. R. Chelikowsky, and M. L. Cohen, “Self-consistent pseudopotential calculation of the electronic structure of Nb“, Phys. Rev. B 15, 1755 (1977).
17. S. G. Louie and M. L. Cohen, “Superconducting Transition Temperatures for Weak and Strong Electron-Phonon Coupling“, Solid State Comm. 22, 1 (1977).
18. S. G. Louie, K. M. Ho, J. R. Chelikowsky, and M. L. Cohen, “Self-consistent pseudopotential calculations for the ideal (001) surface of Nb“, Phys. Rev. B 15, 5627 (1977).
19. W. E. Pickett, S. G. Louie, and M. L. Cohen, “Ge-GaAs (110) Interface: A Self-Consistent Calculation of Interface States and Electronic Structure“, Phys. Rev. Lett. 39, 109 (1977). [Erratum:Phys. Rev. Lett. 40, 1740 (1978)]
20. G. P. Kerker, S. G. Louie, and M. L. Cohen, “Electronic structure of the ideal and reconstructed Si(001) surface“, Phys. Rev. B 17, 706 (1978).
21. W. E. Pickett, S. G. Louie, and M.L. Cohen, “Self-consistent calculations of interface states and electronic structure of the (110) interfaces of Ge-GaAs and AlAs-GaAs“, Phys. Rev. B 17, 815 (1978). . [Erratum: Phys. Rev. B 18, 2966 (1978)]
22. J. Ihm, S. G. Louie, and M. L. Cohen, “Self-consistent pseudopotential calculations for Ge and diamond (111) surfaces“, Phys. Rev. B 17, 769 (1978).
23. S. G. Louie and M. L. Cohen, “Dielectric screening and zone-center phonons in Si“, Phys. Rev. B 17, 3174 (1978).
24. J. Ihm, S. G. Louie, and M. L. Cohen, “Diamond-Metal Interfaces and the Theory of Schottky Barriers“, Phys. Rev. Lett. 40, 1208 (1978).
25. S. G. Louie, “Electronic States and Adsorbate-Induced Photoemission Structure on the Pd(111) Surface“, Phys. Rev. Lett. 40, 1525 (1978).
26. J. Ihm, S. G. Louie, and M. L. Cohen, “Electronic structure of Ge and diamond Schottky barriers“, Phys. Rev. B 18, 4172 (1978).
27. Pinczuk, S. G. Louie, B. Welber, J. C. Tsang, and J. A. Bradley, “The Conduction Band Parameters of GaAs at the D1C Minima”, in Proceedings of the 14th International Conference on the Physics of Semiconductors, ed. B. L. H. Wilson (Inst. of Phys., 1981), p. 1191.
28. S. G. Louie, K. M. Ho, and M. L. Cohen, “Self-consistent mixed-basis approach to the electronic structure of solids“, Phys. Rev. B 19, 1774 (1979).
29. S. G. Louie, “Hydrogen on Pd(111): Self-Consistent Electronic Structure, Chemical Bonding, and Photoemission Spectra“, Phys. Rev. Lett. 42, 476 (1979).
30. S. G. Louie, P. Thiry, R. Pinchaux, Y. Petroff, D. Chandesris, and J. Lecante, “Periodic Oscillations of the Frequency-Dependent Photoelectric Cross Sections of Surface States: Theory and Experiment,Phys. Rev. Lett. 44, 549 (1980).
31. S. G. Louie, “Cancellation Effects in Localized Orbital Theory“, Solid State Comm. 34, 723 (1980).
32. S. G. Louie, “New localized-orbital method for calculating the electronic structure of molecules and solids: Covalent semiconductors“, Phys. Rev. B 22, 1933 (1980).
33. S. G. Louie, “Electronic Structure of d-Band Metal Surfaces and Adsorption Systems”, in Physics of Transition Metals, 1980 (Proc. of the 2nd Conf. on the Physics of Transition Metals, Conf. Series No. 55), ed. P. Rhodes (Inst. of Physics, London, 1981), p. 401.
34. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, “Electronic Structure of Third-Stage Lithium Intercalated Graphite“, Phys. Rev. Lett. 47, 1318 (1981).
35. Z. H. Levine and S. G. Louie, “New model dielectric function and exchange-correlation potential for semiconductors and insulators“, Phys. Rev. B 25, 6310 (1982).
36. S. G. Louie, S. Froyen, and M. L. Cohen, “Nonlinear ionic pseudopotentials in spin-density-functional calculations“, Phys. Rev. B 26, 1738 (1982).
37. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, “X-ray form factors and the electronic structure of graphite“, Phys. Rev. B. 26, 5382 (1982).
38. C. Minot and S. G. Louie, “Electronic structure of di-tetramethyltetraselenafulvalene-X [(TMTSF)₂X]: An extended Huckel calculation“, Phys. Rev. B 26, 4793 (1982).
39. S. G. Louie, “Calculated optical and photoemission properties of GeSe₂“, Phys. Rev. B 26, 5993 (1982).
40. N. A. Holzwarth, S. G. Louie, and S. Rabii, “Electronic Structure of Graphite Intercalation Compounds”, in The Proceedings of the Symposium on Intercalated Graphite, eds. M. S. Dresselhaus et al. (North Holland, New York, 1983), p. 107.
41. C. T. Chan and S. G. Louie, “Self-consistent pseudopotential calculation of the electronic structure of PdH and Pd₄H“, Phys. Rev. B 27, 3325 (1983).
42. W. Eberhardt, S. G. Louie, and E. W. Plummer, “Interaction of hydrogen with a Pd(111) surface“, Phys. Rev. B 28, 465 (1983).
43. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, “Lithium-intercalated graphite: Self-consistent electronic structure for stages one, two, and three“, Phys. Rev. B 28, 1013 (1983).
44. D. Vanderbilt and S. G. Louie, “A First Principles LCAO Study of Ideal and Reconstructed Diamond (111) 1×1 and 2×1 Surfaces“, J. Vac. Sci. and Techn. B1, 723 (1983).
45. C. T. Chan and S. G. Louie, “Electronic Structure of Subsurface and Surface Chemisorption for Hydrogen on the Pd(111) Surfaces“, Solid State Comm. 48, 417 (1983).
46. J. R. Chelikowsky and S. G. Louie, “First-principles linear combination of atomic orbitals method for the cohesive and structural properties of solids: Application to diamond“, Phys. Rev. B 29, 3470 (1984).
47. D. Vanderbilt and S. G. Louie, “Total energy minimization for diamond (111) surfaces: Support for an undimerizedpi-bonded chain reconstruction“, Phys. Rev. B 29, 7099 (1984).
48. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, “Theoretical Valence Charge Densities for Graphite, Diamond, and LiC6”, in Local Density Approximations in Quantum Chemistry and Solid State Physics, eds. J. P. Dahl and J. Avery (Plenum Press, New York, 1984), p. 665.
49. M. S. Hybertsen and S. G. Louie, “Non-Local Density Functional Theory for the Electronic and Structural Properties of Semiconductors“, Solid State Comm. 51, 451 (1984).
50. M. Y. Chou, S. G. Louie, M. L. Cohen, and N. A. W. Holzwarth, “Electron momentum distribution in graphite and lithium-intercalated graphite“, Phys. Rev. B 30, 1062 (1984).
51. N. A. W. Holzwarth, S. G. Louie, and S. Rabii, “Interlayer states in graphite and in alkali-metal-graphite intercalation compounds“, Phys. Rev. 30, 2219 (1984).
52. M. L. Cohen and S. G. Louie, “Electronic Properties of Surfaces“, Ann. Rev. Phys. Chem. 35, 537 (1984).
53. D. Vanderbilt, S. G. Louie, and M. L. Cohen, “Calculation of Phonon-Phonon Interactions and the Absence of Two-Phonon Bound States in Diamond“, Phys. Rev. Lett. 53, 1477 (1984).
54. D. Vanderbilt and S. G. Louie, “Total energies of diamond (111) surface reconstructions by a linear combination of atomic orbitals method“, Phys. Rev. B 30, 6118 (1984).
55. C. T. Chan and S. G. Louie, “Hydrogen in subsurface sites of Pd(111): Self-consistent electronic structure“, Phys. Rev. B 30, 4153 (1984).
56. D. Vanderbilt and S. G. Louie, “A Monte Carlo Simulated Annealing Approach to Optimization over Continuous Variables“, J. Comput. Phys. 56, 259 (1984).
57. J. R. Chelikowsky, S. G. Louie, D. Vanderbilt, and C. T. Chan, “Total Energy Method for Solids and Solid Surfaces”, Int. J. of Quant. Chem.: Quant. Chem. Symposium 18, 105 (1984).
58. M. S. Hybertsen and S. G. Louie, “Nonlocal-density-functional approximation for exchange and correlation in semiconductors“, Phys. Rev. B 30, 5777 (1984).
59. S. G. Louie, “Pseudopotentials and Total Energy Calculations: Applications to Crystal Stability, Vibrational Properties, Phase Transformations, and Surface Structures”, in Proceedings of NATO International Advanced Study Institute on Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter, eds. J. Devreese and P. Van Camp (Plenum Press, 1985), p. 335.
60. W. Maysenholder, S. G. Louie, and M. L. Cohen, “Cohesive properties of bcc and fcc rubidium fromab initiopseudopotentials“, Phys. Rev. 31, 1817 (1985).
61. M. Y. Chou, M. L. Cohen, and S. G. Louie, “Compton Profile of Graphite and Lithium-Intercalated Graphite”, in Proceedings of the Symposium on Intercalated Graphite Compounds, eds. P. C. Eklund, M. S. Dresselhaus, and G. Dresselhaus (MRS, Pittsburgh, 1984), p.68.
62. M. Y. Chou, S. G. Louie, and M. L. Cohen, “Theoretical Study of Stacking Faults in Silicon”, in Proceedings of the 17th International Conference on the Physics of Semiconductors, eds. D. J. Chadi and W. A. Harrison (Springer-Verlag, New York, 1985), p.43.
63. M. S. Hybertsen and S. G. Louie, “Calculation of Optical Gaps in Silicon in the Screened Exchange-Coulomb Hole Approximation”, in Proceedings of the 17th International Conference on the Physics of Semiconductors, eds. D. J. Chadi and W. A. Harrison (Springer-Verlag, New York, 1985), p.1001.
64. M. Hanfland, K. Syassen, S. Fahy, S. G. Louie, and M. L. Cohen, “Pressure dependence of the first-order Raman mode in diamond“, Phys. Rev. B 31, 6896 (1985).
65. S. L. Richardson, M. L. Cohen, S. G. Louie, and J. R. Chelikowsky, “Comment on “Predicted Modifications in the Direct and Indirect Gaps of Tetrahedral Semiconductors”“, Phys. Rev. Lett. 54, 2549 (1985).
66. D. Vanderbilt and S. G. Louie, “Energy Minimization Calculations for Diamond (111) Surface Reconstructions”, in The Structure of Surfaces, eds. M. A. Van Hove and S. Y. Tong (Springer-Verlag, New York, 1985), p.29.
67. S. G. Louie, “Total Energy Calculations and Bonding at Interfaces”, J. de Phys. Coll. C4, 335 (1985).
68. S. B. Zhang, M. L. Cohen, and S. G. Louie, “Interface potential changes and Schottky barriers“, Phys. Rev. B 32, 3955 (1985).
69. M. S. Hybertsen and S. G. Louie, “First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators“, Phys. Rev. Lett. 55, 1418 (1985).
70. M. S. Hybertsen and S. G. Louie, “Electron correlation and the band gap in ionic crystals“, Phys. Rev. B 32, 7005 (1985). [Erratum: Phys. Rev. B 35, 9308 (1987)]
71. M. Y. Chou, M. L. Cohen, and S. G. Louie, “Theoretical study of stacking faults in silicon“, Phys. Rev. B 32, 7979 (1985).
72. S. L. Richardson, M. L. Cohen, S. G. Louie, and J. R. Chelikowsky, “Electron charge densities at conduction-band edges of semiconductors“, Phys. Rev. B 33, 1177 (1986). [Erratum:Phys. Rev. B 35, 9308 (1987)]
73. C. T. Chan, D. Vanderbilt, and S. G. Louie, “Application of a general self-consistency scheme in the linear combination of atomic orbitals formalism to the electronic and structural properties of Si and W“, Phys. Rev. B 33, 2455 (1986). [Erratum:Phys. Rev. B 33, 8791 (1986)]
74. C. T. Chan and S. G. Louie, “Theoretical study of the surface energy and surface relaxation of the W(001) surface“, Phys. Rev. B 33, 2861 (1986). [Erratum: Phys. Rev. B 33, 8792 (1986)]
75. M. Y. Chou, M. L. Cohen, and S. G. Louie, “Theoretical Compton profiles of graphite and LiC₆“, Phys. Rev. B 33, 6619 (1986).
76. D. Vanderbilt, S. G. Louie, and M. L. Cohen, “Calculation of anharmonic phonon couplings in C, Si, and Ge“, Phys. Rev. B 33, 8740 (1986).
77. C. T. Chan, D. Vanderbilt, S. G. Louie, and J. R. Chelikowsky, “Theoretical study of the cohesive and structural properties of Mo and W in bcc, fcc, and hcp structures“, Phys. Rev. 33, 7941 (1986).
78. M. Hanfland, K. Syassen, S. Fahy, S. G. Louie, and M. L. Cohen, “The First-Order Raman Mode of Diamond under Pressure“, Physica B+C 139-140, 516 (1986).
79. S. B. Zhang, M. L. Cohen, and S. G. Louie, “Structural and electronic properties of the Al-GaAs(110) interface“, Phys. Rev. B 34, 768 (1986).
80. S. Fahy, S. G. Louie, and M.L. Cohen, “Pseudopotential total-energy study of the transition from rhombohedral graphite to diamond“, Phys. Rev. B 34, 1191 (1986).
81. M. S. Hybertsen and S. G. Louie, “Spin-orbit splitting in semiconductors and insulators from theab initiopseudopotential“, Phys. Rev. B 34, 2920 (1986).
82. M. S. Hybertsen and S. G. Louie, “Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies“, Phys. Rev. B 34, 5390 (1986).
83. J. R. Chelikowsky, C. T. Chan, and S. G. Louie, “Theoretical study of the electronic, structural, and cohesive properties of ruthenium“, Phys. Rev. B 34, 6656 (1986).
84. S. G. Louie, “Quasiparticle Energies in Semiconductors and Insulators”, in Proceedings of the 18th Conference on the Physics of Semiconductors, ed. D. Engstrom (World Scientific, Singapore, 1987), p. 1095.
85. D. Tomanek, C. T. Chan, and S. G. Louie, “Ab InitioCalculation of Coverage-Dependent Adsorption Properties of H on Pd(001)“, Phys. Rev. Lett. 57, 2594 (1986). [Erratum: Phys. Rev. Lett. 58, 287 (1987)]
86. C. T. Chan, S. G. Louie, and J. C. Phillips, “Potential fluctuations and density of gap states in amorphous semiconductors“, Phys. Rev. B 35, 2744 (1987).
87. M. S. Hybertsen and S. G. Louie, “Many-body calculation of surface states: As on Ge(111)“, Phys. Rev. Lett. 58, 1551 (1987).
88. M. S. Hybertsen and S. G. Louie, “Ab initiostatic dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators“, Phys. Rev. B 35, 5585 (1987).
89. M. S. Hybertsen and S. G. Louie, “Ab initiostatic dielectric matrices from the density-functional approach. II. Calculation of the screening response in diamond, Si, Ge, and LiCl“, Phys. Rev. B 35, 5602 (1987).
90. S. Fahy, K. J. Chang, S. G. Louie, and M. L. Cohen, “Pressure coefficients of band gaps of diamond“, Phys. Rev. B 35, 5856 (1987).
91. D. Tomanek, S. G. Louie, H. J. Mamin, D. W. Abraham, R. E. Thomson, E. Ganz, and J. Clarke, “Theory and observation of highly asymmetric atomic structure in scanning-tunneling-microscopy images of graphite“, Phys. Rev. B 35, 7790 (1987).
92. S. Fahy, S. G. Louie, and M. L. Cohen, “Theoretical total-energy study of the transformation of graphite into hexagonal diamond“, Phys. Rev. B 35, 7623 (1987).
93. S. Fahy and S. G. Louie, “High-pressure structural and electronic properties of carbon“, Phys. Rev. B 36, 3373 (1987).
94. S. G. Louie, “Theory of Quasiparticle Energies and Excitation Spectra of Semiconductors and Insulators”, in Electronic Band Structure and Its Applications, ed. M. Yussouff (Springer-Verlag, Heidelberg, 1987), p. 93.
95. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, “Theory of quasiparticle energies in alkali metals“, Phys. Rev. Lett. 59, 819 (1987).
96. S. G. Louie and M. S. Hybertsen, “Theory of Quasiparticle Energies: Band Gaps and Excitation Spectra in Solids“, Int. J. of Quant. Chem.: Quant. Chem. Symp. 21, 31 (1987).
97. S. G. Louie, “Ab initio Calculation of Ground- and Excited-State Properties of Surfaces”, in Proceedings of the Asia-Pacific Symposium on Surface Physics, ed. Xie Xide (World Scientific, Singapore, 1987), p. 140.
98. M. S. Hybertsen and S. G. Louie, “Theory and Calculation of Quasiparticle Energies and Band Gaps”,Comments on Cond. Mat. Phys. 13, 223 (1987).
99. U. Walter, S. Fahy, A. Zettl, S. G. Louie, M. L. Cohen, P. Tejedor, and A. M. Stacy, “Probing electronic density of states and magnetic interactions at the rare-earth site in ErBa₂Cu₃O₇“, Phys. Rev. B 36, 8899 (1987).
100. M. S. Hybertsen and S. G. Louie, “Model dielectric matrices for quasiparticle self-energy calculations“, Phys. Rev. B 37, 2733 (1988).
101. R. S. Becker, B. S. Swartzentruber, J. S. Vickers, M. S. Hybertsen, and S. G. Louie, “Geometric and Local Electronic Structure of Si(111)-As“, Phys. Rev. Lett. 60, 116 (1988).
102. C. Kittel, S. Fahy, and S. G. Louie, “Magnetic screening by a thin superconducting surface layer“, Phys. Rev. B 37, 642 (1988).
103. D. Tomanek, R. M. Wentzcovitch, S. G. Louie, and M. L. Cohen, “Calculation of electronic and structural properties of BC₃“, Phys. Rev. B 37, 3134 (1988).
104. D. Tomanek and S. G. Louie, “First-principles calculation of highly asymmetric structure in scanning-tunneling-microscopy images of graphite“, Phys. Rev. B 37, 8327 (1988).
105. S. G. Louie, “Calculating and Predicting the Properties of Materials”, in High Speed Computing: Scientific Applications and Algorithm Design, ed. R. B. Wilhelmson (University of Illinois Press, Urbana, 1988), p. 112.
106. S. B. Zhang, D. Tomanek, S. G. Louie, M. L. Cohen, and M. S. Hybertsen, “Quasiparticle Calculation of Valence Band Offset of AlAs-GaAs(001)“, Solid State Comm. 66, 585 (1988).
107. M. S. Hybertsen and S. G. Louie, “Theory of quasiparticle surface states in semiconductor surfaces“, Phys. Rev. B 38, 4033 (1988).
108. R. M. Wentzcovitch, M. L. Cohen, and S. G. Louie, “Comparative Study of the Density of States of Graphite and BC3“, Phys. Lett. A 131, 457 (1988).
109. R. M. Wentzcovitch, M. L. Cohen, S. G. Louie, and D. Tomanek, “σ-States Contribution to the Conductivity of BC3“, Solid State Comm. 67, 515 (1988).
110. R. M. Wentzcovitch, S. Fahy, M. L. Cohen, and S. G. Louie, “Ab initiostudy of graphite–>diamondlike transitions in BN“, Phys. Rev. B 38, 6191 (1988).
111. S. Fahy, X. W. Wang, and S. G. Louie, “Variational Quantum Monte Carlo Nonlocal Pseudopotential Approach to Solids: Cohesive and Structural Properties of Diamond“, Phys. Rev. Lett. 61, 1631 (1988).
112. M. Surh, J. E. Northrup, and S. G. Louie, “Occupied quasiparticle bandwidth of potassium“, Phys. Rev. B 38, 5976 (1988).
113. S. Fahy, C. Kittel, and S. G. Louie, “Electromagnetic Screening in Metals“, Am. J. Phys. 56, 989 (1988).
114. M. S. Hybertsen and S. G. Louie, “First-Principles Theory of Semiconductor Surface State Energies”, in Proceedings: 19th International Conference of the Physics of Semiconductors, ed. W. Zawadzki (Inst. of Physics, Warsaw, Poland, 1988), Vol. I, p.713.
115. S. Fahy, X. W. Wang, and S. G. Louie, “Quantum Monte Carlo Calculation of the Properties of Atomic Carbon and Diamond”, in Proceedings: 19th International Conference of the Physics of Semiconductors, ed. W. Zawadzki (Inst. of Physics, Warsaw, Poland, 1988), Vol. II, p.845.
116. M. F. Li, M. P. Surh, and S. G. Louie, “Spin-orbit Inter in Proceedings: 19th International Conference of the Physics of Semiconductors, ed. W. Zawadzki (Inst. of Physics, Warsaw, Poland, 1988), Vol. II, p.857.
117. S. G. Louie, “First-Principles Calculation of Quasiparticle Energies at Surfaces and Interfaces: Semiconductor Surface-State Spectra and Band Offsets”, in Solvay Conference on Surface Science, ed. F. W. de Wette (Springer-Verlag, Berlin, 1988), p. 399.
118. X. Zhu, S. Fahy, and S. G. Louie, “Ab initiocalculation of pressure coefficients of band gaps of silicon: Comparison of the local-density approximation and quasiparticle results“, Phys. Rev. B 39, 7840 (1989). [Erratum: Phys. Rev. B 40, 5821 (1989)]
119. S. G. Louie, “Variational Quantum Monte Carlo Calculation of Materials Properties”, in Atomic Scale Calculations in Materials Science, Materials Research Society Symposium Proceedings, Vol. 141, eds. J. Tersoff et al. (MRS, Pittsburgh, 1989) p.3.
120. R. P. Andres, R. S. Averback, W. L. Brown, L. E. Brus, W. A. Goddard III, A. Kaldor, S. G. Louie, M. Moscovits, P. S. Peercy, S. J. Riley, R. W. Siegel, F. Spaepen, and Y. Wang, “Research Opportunities on Clusters and Cluster-Assembled Materials“, J. Mat. Res. 4, 704 (1989).
121. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, “Quasiparticle excitation spectrum for nearly-free-electron metals“, Phys. Rev. B. 39, 8198 (1989).
122. S. B. Zhang, D. Tomanek, M. L. Cohen, S. G. Louie, and M. S. Hybertsen, “Evaluation of quasiparticle energies for semiconductors without inversion symmetry“, Phys. Rev. B 40, 3162 (1989).
123. S. Saito, S. B. Zhang, S. G. Louie, and M. L. Cohen, “Quasiparticle energies in small metal clusters“, Phys. Rev. B 40, 3643 (1989).
124. S. G. Louie, “Theory of Ground- and Excited-State Properties of Solids, Surfaces, and Interfaces: Beyond Density Functional Formalism”, in Atomistic Simulation of Materials, eds. V. Vitek and D. J.Srolovitz (Plenum Press, New York, 1989), p.125.
125. X. W. Wang, S. G. Louie, and M. L. Cohen, “Hydrogen interactions in PdH_n(1 <= n <= 4)” Phys. Rev. B 40, 5822 (1989).
126. S. B. Zhang, M. S. Hybertsen, M. L. Cohen, S. G. Louie, and D. Tomanek, “Quasiparticle band gaps for ultrathin GaAs/AlAs(001) superlattices“, Phys. Rev. Lett. 63, 1495 (1989).
127. S. G. Louie, “Ab initio Calculation of Materials Properties”, in Proceedings of the DOE Workshop on Theory, Modeling and Instrumentation for Materials by Design, eds. R. E. Allen et al. (Oak Ridge National Laboratory Conference Proceedings CONF-8409210, 1989), p.128.
128. X. Zhu, S. B. Zhang, S. G. Louie, and M. L. Cohen, “Quasiparticle intepretation of photoemission spectra and optical properties of GaAs(110)“, Phys. Rev. Lett. 63, 2112 (1989).
129. X. W. Wang and S. G. Louie, “First Principles Studies of S/Mo(001) Surfaces“, Surf. Sci. 226, 257 (1990).
130. S. B. Zhang, M. L. Cohen, S. G. Louie, D. Tomanek, and M. S. Hybertsen, “Quasiparticle band offset at the (001) interface and band gaps in ultrathin superlattices of GaAs-AlAs heterojunctions“, Phys. Rev. B 41, 10058 (1990).
131. M. S. Hybertsen and S. G. Louie, “Self-Energy Approach to Quasiparticle Energies Using a Density Functional Treatment of Dielectric Screening”, in Density Functional Theory of Many-Fermion Systems , ed. S. B. Trickey (1990), p. 155.
132. S. G. Louie, “Variational Quantum Monte Carlo Calculation of Electronic and Structural Properties of Crystals”, in Quantum Simulation of Condensed Matter Phenomena, ed. J. Gubernatis (World Scientific, Singapore, 1990), p.168.
133. S. Fahy, X. W. Wang, and S. G. Louie, “Variational quantum Monte Carlo nonlocal pseudopotential approach to solids: Formulation and application to diamond, graphite, and silicon” Phys. Rev. B 42, 3503 (1990). [Erratum:Phys. Rev. B 43, 9299 (1991)]
134. X. Zhu, S. B. Zhang, S. G. Louie, and M. L. Cohen, “Zhu et al. Reply to Anisotropy in the Optical Spectrum of GaAs (110) Surface” Phys. Rev. Lett. 65, 938 (1990).
135. S. Fahy, X. W. Wang, and S. G. Louie, “Pair-correlation function and single-particle occupation numbers in diamond and silicon“, Phys. Rev. Lett. 65, 1478 (1990).
136. T. Pang and S. G. Louie, “Negative-donor centers in semiconductors and quantum wells“, Phys. Rev. Lett. 65, 1635 (1990).
137. X. Zhu, M. S. Hybertsen, and S. G. Louie, “Theory of the Quasiparticle Effective Masses in Semiconductors Based on an Electron Self Energy Approach”, Mat. Res. Soc. Symp. Proc. 193, 113 (1990).
138. S. Saito, S. B. Zhang, S. G. Louie, and M. L. Cohen, “New formalism for determining excitation spectra of many-body systems“, Phys. Rev. B 42, 7391 (1990).
139. S. Saito, S. B. Zhang, S. G. Louie, and M. L. Cohen, “Quasiparticle Energies in Small Alkali-Metal Clusters“, J. Phys. Cond. Matt. 2, 9041 (1990).
140. X. W. Wang, J. Zhu, S. G. Louie, and S. Fahy, “Magnetic structure and equation of state of bcc solid hydrogen: A variational quantum Monte Carlo study“, Phys. Rev. Lett. 65, 2414 (1990).
141. H. Chacham, X. Zhu, and S. G. Louie, “Metal-Insulator Transition in Solid Xenon at High Pressures”, Europhys. Lett. 14, 65 (1991).
142. H. Chacham and S. G. Louie, “Metallization of solid hydrogen at megabar pressures: A first-principles quasiparticle study“, Phys. Rev. Lett. 66, 64 (1991).
143. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, “Many-body calculation of the surface-state energies for Si(111)2 x 1“, Phys. Rev. Lett. 66, 500 (1991).
144. M. P. Surh, M.-F. Li, and S. G. Louie, “Spin-orbit splitting of GaAs and InSb bands nearGamma“, Phys. Rev. B 43, 4286 (1991).
145. D. Tomanek, Z. Sun, and S. G. Louie, “Ab initiocalculation of chemisorption systems: H on Pd(001) and Pd(110)“, Phys. Rev. B 43, 4699 (1991).
146. L. C. Brunel, S. G. Louie, G. Martinez, S. Labdi, and H. Raffy, “Superconducting gap in Bi₂Sr₂CaCu₂O₈“, Phys. Rev. Lett. 66, 1346 (1991).
147. X. W. Wang, S. G. Louie, and M. L. Cohen, “Predicting High Pressure and Excited State Properties of Real Materials”, Int. J. of Supercom. Applic., 5, 21 (1991).
148. J. E. Northrup, M. S. Hybertsen, and S. G. Louie, “Many-Body Calculation of the Surface State Energies for Si(111)2×1”, in Proceedings of the 20th International Conference on the Physics of Semiconductors, eds. E. M. Anastassakis and J. D. Joannopoulos (World Scientific, Singapore, 1990), p. 119.
149. M. P. Surh, S. G. Louie, and M. L. Cohen, “Quasiparticle energies for cubic BN, BP, and BAs“, Phys. Rev. B 43, 9126 (1991).
150. S. B. Zhang, M. L. Cohen, and S. G. Louie, “Chemical shift and zone-folding effects on the energy gaps of GaAs-AlAs (001) superlattices“, Phys. Rev. B 43, 9951 (1991).
151. X. Zhu and S. G. Louie, “Quasiparticle surface band structure and photoelectric threshold of Ge(111)-2 x 1“, Phys. Rev. B 43, 12146 (1991).
152. X. Zhu and S. G. Louie, “Quasiparticle band structure of thirteen semiconductors and insulators“, Phys. Rev. B 43, 14142 (1991).
153. S. G. Louie, “Condensed Matter Physics”, in Yearbook of Science and the Future 1992 (Encyclopaedia Britannica, Inc., Chicago, 1991), p. 397.
154. S. G. Louie, “Theory of Electronic Excitations in Solids”, in Electronic Materials: A New Era of Materials Sciences, eds. J. R. Chelikowsky and A. Franciosi (Springer-Verlag, Berlin, 1991), p. 23.
155. G. Martinez, L. C. Brunel, S. G. Louie, S. Labdi, and H. Rafty, “Superconducting Gap and Magnetic Field Effects in Bi2Sr2CaCu2O8“, Physica C 185 – 189, 1753 (1991).
156. S. G. Louie and T. Pang, “Negative Donor Centers in High Magnetic Fields and Quantum Wells”, in New Horizons in Low-Dimensional Electron Systems, eds. H. Aoki et al. (Kluwer Press, 1992), p. 445.
157. S. G. Louie, “Ab initio Calculations of Properties of Crystals, Surfaces, and Materials Under Pressure”, in Proceedings of the EOE First Energy Research Power Supercomputer Users Symposium, (Oak Ridge National Laboratory Conference Proceedings, CONF-9105202), Section 14.
158. X. Zhu and S. G. Louie, “Anharmonicity of the hydrogen-carbon stretch mode on diamond (111)-1 x 1“, Phys. Rev. B 45, 3940 (1992).
159. X. Zhu, X. W. Wang, and S. G. Louie, “First-principles pseudopotential calculations of magnetic iron“, Phys. Rev. B 45, 8887 (1992).
160. M. P. Surh, S. G. Louie, and M. L. Cohen, “Band gaps of diamond under anisotropic stress“, Phys. Rev. B 45, 8239 (1992).
161. S. G. Louie, “Quasiparticle Excitations and Photoemission”, in Angle-Resolved Photoemission, ed. S. D. Kevan (Elsevier, Amsterdam, 1992), p. 63.
162. S. G. Louie, “Theory of Electronic Excitations on Semiconductor Surfaces“, Appl. Surf. Sci. 60/61, 13 (1992).
163. H. Chacham, X. Zhu, and S. G. Louie, “Pressure-induced insulator-metal transitions in solid xenon and hydrogen: A first-principles quasiparticle study“, Phys. Rev. B 46, 6688 (1992). [Erratum: Phys. Rev. B 48, 2025 (1993)]
164. Garcia, C. Elsasser, X. Zhu, S. G. Louie, and M. L. Cohen, “Use of gradient-corrected functionals in total-energy calculations for solids“, Phys. Rev. B 46, 9829 (1992). [Erratum: Phys. Rev. B 47, 4150 (1993).]
165. E. Shirley, X. Zhu, and S. G. Louie, “Core polarization in semiconductors: Effects on quasiparticle energies“, Phys. Rev. Lett. 69, 2955 (1992).
166. X.-J. Zhu and S. G. Louie, “Wigner crystallization in the fractional quantum Hall regime: A variational quantum Monte Carlo study“, Phys. Rev. Lett. 70, 335 (1993).
167. J. Zhu, S. G. Louie, and T. Pang, “D- Centers in High Magnetic Fields and Quantum Wells”, Mat. Sci. Forum 117 – 118, 1 (1993).
168. K. Hricovini, R. Gunther, P. Thiry, A. Taleb-Ibrahimi, G. Indlekofer, J. E. Bonnet, P. Dumas, Y. Petroff, X. Blase, X.-J. Zhu, S. G. Louie, Y. J. Chabal, and P. A. Thiry “Electronic structure and its dependence on local order for H/Si(111)-(1 x 1) surfaces“, Phys. Rev. Lett. 70, 1992 (1993).
169. S. G. Louie and X.-J. Zhu, “Electron Correlations in Semiconductors: Bulk Cohesive Properties and Magnetic-Field-Induced Wigner Crystal at Heterojunctions”, in Proceedings of the 21st International Conference on the Physics of Semiconductors, eds. P. Jiang and H.-Z. Zheng (World Scientific, Singapore, 1992), p. 61.
170. X.-J. Zhu and S. G. Louie, “Quasiparticle Properties of Ge(111) 2×1 Surface”, in Proceedings of the 21st International Conference on the Physics of Semiconductors, eds. P. Jiang and H.-Z. Zheng (World Scientific, Singapore, 1992), p. 493.
171. E. L. Shirley and S. G. Louie, “Electron excitations in solid C₆₀: Energy gap, band dispersions, and effects of orientational disorder“, Phys. Rev. Lett. 71, 133 (1993).
172. S. Huant, A. Mandray, J. Zhu, T. Pang, S. G. Louie, and B. Etienne, “Well-width dependence ofD^–cyclotron resonance in quantum wells“, Phys. Rev. B 48, 2370 (1993).
173. L.-C. Brunel, S. G. Louie, G. Martinez, S. Labdi and H. Rafty, “Superconducting Gap in High Tc Superconductors: Bi2Sr2CaCuO8”, in Proceedings of the International Conference on High Temperature Superconductivity and Localization Phenomena, eds. A. A. Aronov, A. I. Larkin, and V. S. Lutovinov (World Scientific, Singapore, 1992), p. 279.
174. S. G. Louie, “Correlated Wavefunction Quantum Monte Carlo Approach to Solids”, in Interatomic Potential and Structural Stability, eds. K. Terakura and H. Akai (Springer-Verlag, Berlin, 1993), p. 181.
175. R. Price, X.-J. Zhu, P. M. Platzman, and S. G. Louie, “Freezing of the quantum Hall liquid atnu=1/7 and 1/9“, Phys. Rev. B 48, 11473 (1993).
176. Rubio, J. L. Corkill, M. L. Cohen, E. L. Shirley, and S. G. Louie, “Quasiparticle band structure of AlN and GaN“, Phys. Rev. B 48, 11810 (1993).
177. S. G. Louie, “Excited States in Electronic Structure Calculations”, in Vacuum Ultraviolet Radiation Physics”, Proceedings of the 10th International VUV Conference , eds. F. J. Wuilleumier, Y. Petroff, and I. Nenner, (World Scientific: Singapore), 1993, p.408.
178. X.-J. Zhu and S. G. Louie, “Spin ordering of two-dimensional electron lattices“, Phys. Rev. B 48, 13661 (1993).
179. S. G. Louie and E. L. Shirley, “Electron Excitation Energies in Fullerites: Many-Electron and Molecular Orientational Effects“, J. Phys. Chem. Solids 54, 1767 (1993).
180. T. Sasaki, A.M. Rappe, and S.G. Louie, “Application of Optimized Pseudopotentials to Magnetic Systems”, Science Reports of the Research Institute Tohoku University Series A – Physics, Chemistry, and Metallurgy, Vol. 39, 37 (1993).
181. S. G. Louie, “Quasiparticle Theory of Surface Electronic Excitation Energies“, Surf. Sci. 299/300, 346 (1994).
182. S. G. Louie and E. L. Shirley, “Quasiparticle Excitations and Photoemission Spectra in Solid C60”, Brazilian Journal of Physics 24, 43 (1994).
183. X. Blase, X.-J. Zhu, and S. G. Louie, “Self-energy effects on the surface-state energies of H-Si(111)1 x 1“, Phys. Rev. B 49, 4973 (1994).
184. X. Blase, L. X. Benedict, E. L. Shirley, and S. G. Louie, “Hybridization effects and metallicity in small radius carbon nanotubes“, Phys. Rev. Lett. 72, 1878 (1994).
185. Y. Miyamoto, A. Rubio, M. L. Cohen, and S. G. Louie, “Chiral tubules of hexagonal BC₂N“, Phys. Rev. B 50, 4976 (1994).
186. X. Blase, A.J.R. da Silva, X. Zhu, and S. G. Louie, “Si 2pcore-level chemical shifts at the H/Si(111)-(1 x 1) surface“, Phys. Rev. B (RC), 50, 8102 (1994).
187. J. A. Carlisle, L. J. Terminello, A. V. Hamza, E. A. Hudson, E. L. Shirley, F. J. Himpsel, D. A. Lapiano-Smith, J. J. Jia, T. A. Callcott, R. C. C. Perera, D. K. Shuh, S. G. Louie, J. Stohr, M. G. Samant, and D. L. Ederer, “Occupied and Unoccupied Orbitals of C60 and C70”, Mol. Cryst. and Liq. Cryst. 256, 819 (1994).
188. Zakharov, A. Rubio, X. Blase, M.L. Cohen, and S. G. Louie, “Quasiparticle band structures of six II-VI compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe“, Phys. Rev. B 50, 10780 (1994).
189. S. G. Louie, “Electronic Structure of C60 Fullerites and Nanotubes”, Proc. Int. Conf. on Electronic Properties of Novel Materials – Progress in Fullerene Research , eds. H. Kuzmany et al. (World Scientific, Singapore, 1994) p. 303.
190. X. Blase, A. Rubio, S. G. Louie, and M. L. Cohen, “Stability and Band Gap Constancy of Boron-Nitride Nanotubes”, Euro. Phys. Lett. 28, 335 (1994).
191. Y. Miyamoto, A. Rubio, S.G. Louie and M.L. Cohen, “Electronic properties of tubule forms of hexagonal BC₃“, Phys. Rev. B 50, 18360 (1994).
192. J. A. Carlisle, L. J. Terminello, E. A. Hudson, E. L. Shirley, F. J. Himpsel, J. J. Jia, T. A. Callcott, R. C. C. Perera, S. G. Louie, J. Stohr, M. G. Samant, and D. L. Ederer, “Occupied and Unoccupied Orbitals of C60 and C70 Probed With C 1S Emission and Absorption”, Mat. Res. Soc. Symp. Proc. 349, 245 (1994).
193. B. Kralik, A.M. Rappe, and S. G. Louie, “Correlated Wavefunction Monte Carlo Studies of Excitations in the Quantum Hall Liquids”, Proc. of the 22nd International Conference on the Physics of Semiconductors, 1994, ed. D.J. Lockwood, (World Scientific, Singapore, 1995), p.999.
194. C. Hartmann, M. Zigone, G. Martinez, E.L. Shirley, L.X. Benedict, S.G. Louie, M.S. Fuhrer, and A. Zettl, “Optical Investigation of the Electron-Phonon Interaction in C60 Fullerites”, Proc. of the 22nd International Conference on the Physics of Semiconductors, 1994, ed. D.J. Lockwood, (World Scientific, Singapore, 1995), p.2105.
195. X. Blase, A. Rubio, S.G. Louie, and M.L. Cohen, “Quasiparticle band structure of bulk hexagonal boron nitride and related systems“, Phys. Rev. B 51, 6868 (1995).
196. Y. Miyamoto, A. Rubio, X. Blase, M.L. Cohen, and S.G. Louie “Ionic Cohesion and Electron Doping of Thin Carbon Tubules with Alkali Atoms“, Phys. Rev. Lett. 74, 2993 (1995).
197. M.P. Surh, H. Chacham, and S.G. Louie, “Quasiparticle excitation energies for theF-center defect in LiCl“, Phys. Rev. B. 51, 7464 (1995).
198. Z. Weng-Sieh, K. Cherrey, N.S. Chopra, A. Zettl, R. Gronsky, X. Blase, Y. Miyamoto, A. Rubio, S.G. Louie, and M.L. Cohen, “Synthesis of B_xC_yN_znanotubules“, Phys. Rev. B (RC) 51, 11229 (1995).
199. R.P. Chin, X. Blase, Y.R. Shen, and S.G. Louie, “Anharmonicity and Lifetime of the CH Stretch Mode on Diamond H/C(111) – (1 x 1)”, Europhysics Lett. 30, 399 (1995).
200. N.G. Chopra, R.J. Luyken, K. Cherrey, V.H. Crespi, M.L. Cohen, S.G. Louie, and A. Zettl, “Boron-Nitride Nanotubes“, Science 269, 966 (1995).
201. X.-J. Zhu and S.G. Louie, “Variational quantum Monte Carlo study of two-dimensional Wigner crystals: Exchange, correlation, and magnetic-field effects“, Phys. Rev. B.52, 5863 (1995).
202. X. Blase, A. Rubio, S.G. Louie, and M.L. Cohen, “Mixed-space formalism for the dielectric response in periodic systems“, Phys. Rev. B52, R 2225 (1995).
203. N.G. Chopra, L.X. Benedict, V.H. Crespi, M.L. Cohen, S.G. Louie, and A. Zettl, “Fully Collapsed Carbon Nanotubes“, Nature377, 135 (1995).
204. C. Hartmann, M. Zigone, G. Martinez, E.L. Shirley, L.X. Benedict, S.G. Louie, M.S. Fuhrer, and A. Zettl, “Investigation of the absorption edge of C₆₀fullerite“, Phys. Rev. B52, R 5550 (1995).
205. L.X. Benedict, S.G. Louie, and M.L. Cohen, “Static polarizabilities of single-wall carbon nanotubes“, Phys. Rev. B.52, 8541 (1995).
206. T. Sasaki, A.M. Rappe, and S.G. Louie, “Abinitiooptimized pseudopotential calculations of magnetic systems“, Phys. Rev. B 52, 12760 (1995).
207. B. Kralik, A.M. Rappe, and S.G. Louie, “Theory of the spin-flip excitations in thenu=1 quantum Hall liquid“, Phys. Rev. B 52, R 11626 (1995).
208. L.X. Benedict, V.H. Crespi, S.G. Louie, and M.L. Cohen, “Static conductivity and superconductivity of carbon nanotubes: Relations between tubes and sheets“, Phys. Rev. B52, 14935 (1995).
209. Y. Miyamoto, M.L. Cohen, and S.G. Louie, “Ab initiocalculation of phonon spectra for graphite, BN, and BC₂N sheets“, Phys. Rev. B52, 14971 (1995).
210. L. Chico, V.H. Crespi, L.X. Benedict, S.G. Louie, and M. L. Cohen, “Pure Carbon Nanoscale Devices: Nanotube Heterojunctions“, Phys. Rev. Letters76, 971 (1996).
211. S.G. Louie, “Quasiparticle Theory of Electron Excitations in Solids”, inQuantum Theory of Real Materials, eds. J.R. Chelikowsky and S.G. Louie, (Kluwer Press, Boston, 1996), p. 83.
212. E.L. Shirley and S.G. Louie, “Photoemission and Optical Properties of C60 Fullerites”, inQuantum Theory of Real Materials, eds. J.R. Chelikowsky and S.G. Louie (Kluwer Press, Boston, 1996), p. 515.
213. Rubio, Y. Miyamoto, X. Blase, M.L. Cohen, and S.G. Louie, “Theoretical study of one-dimensional chains of metal atoms in nanotubes“, Phys. Rev. B53, 4023 (1996).
214. Y. Miyamoto, S.G. Louie, and M.L. Cohen, “Chiral Conductivities of Nanotubes“, Phys. Rev. Lett.76, 2121 (1996).
215. S.G. Louie, “Theoretical Study of the Structure and Electronic Properties of Carbon and BxCyNz Nanotubes”, inThe Chemical Physics of Fullerenes 10(5) Years Later, ed. W. Andreoni (Kluwer Press, Boston, 1996), p. 419.
216. V.H. Crespi, L.X. Benedict, M.L. Cohen, and S.G. Louie, “Prediction of a pure-carbon planar covalent metal“, Phys. Rev. B53, 13303 (1996).
217. F. Mauri and S.G. Louie, “Magnetic Susceptibility of Insulators from First Principles“, Phys. Rev. Lett.76, 4246 (1996).
218. Rubio, J.A. Alonso, X. Blase, L.C. Balbas, and S.G. Louie, “Ab InitioPhotoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters“, Phys. Rev. Lett.77, 247 (1996). [Erratum: Phys. Rev. Lett. 77, 5442 (1996)]
219. L. Chico, L.X. Benedict, S.G. Louie, and M.L. Cohen, “Quantum conductance of carbon nanotubes with defects“, Phys. Rev. B54, 2600 (1996). [Erratum:61, 10511 (2000).]
220. F. Mauri, O. Zakharov, S. de Gironcoli, S.G. Louie, and M.L. Cohen, “Phonon Softening and Superconductivity in Tellurium under Pressure“, Phys. Rev. Lett.77, 1151(1996).
221. S.G. Louie, “Ab Initio Calculation of Electron Excitation Energies in Solids”, inModelling and Simulation for Materials Design, eds. S. Nishijima and H. Onodera (NRIM, Japan, 1996) p. 61.
222. V.H. Crespi, N.G. Chopra, M.L. Cohen, A. Zettl, and S.G. Louie, “Anisotropic electron-beam damage and the collapse of carbon nanotubes“, Phys. Rev. B54, 5927 (1996).
223. E.L. Shirley, L.X. Benedict, and S.G. Louie, “Excitons in solid C₆₀“, Phys. Rev. B54, 10970 (1996).
224. S.G. Louie, “Nanoparticles Behaving Oddly“, Nature384, 612 (1996).
225. L.X. Benedict, S.G. Louie, and M.L. Cohen, “Heat Capacity of Carbon Nanotubes“, Solid State Comm.100, 177 (1996).
226. F. Mauri, B.G. Pfrommer, and S.G. Louie, “Ab InitioTheory of NMR Chemical Shifts in Solids and Liquids“, Phys. Rev. Lett.77, 5300 (1996).
227. B.G. Pfrommer, M. Cote, S.G. Louie, and M.L. Cohen, “Relaxation of Crystals with the Quasi-Newton Method“, J. Computational Physics131, 233 (1997).
228. Y. Miyamoto, M.L. Cohen, and S.G. Louie, “Theoretical Investigation of Graphitic Carbon Nitride and Possible Tubule Forms“, Solid State Comm.102, 605 (1997).
229. Y.A. Krotov, D.-H. Lee, and S.G. Louie, “Low Energy Properties of (n,n) Carbon Nanotubes“, Phys. Rev. Lett.78, 4245 (1997).
230. S.G. Louie, “Structures and Properties of Carbon and B-C-N Nanotubes”, inProceedings of the Robert A. Welch Foundation 40th Conference on Chemical Research: Chemistry on the Nanometer Scale(The Robert A. Welch Foundation, Houston, 1997), p. 141.
231. K. Ohno, F. Mauri, and S.G. Louie, “Magnetic susceptibility of semiconductors by an all-electron first-principles approach“, Phys. Rev. B56, 1009(1997).
232. W.A. Caldwell, J.H. Nguyen, B.G. Pfrommer, F. Mauri, S.G. Louie, and R. Jeanloz, “Structure, Bonding, and Geochemistry of Xenon at High Pressures“, Science277, 930 (1997).
233. B. Kralik, A.M. Rappe, and S.G. Louie, “Variational Monte Carlo calculation of the spin gap in thenu=1 quantum Hall liquid“, Phys. Rev. B 56, 4760 (1997).
234. S. Ogut, J.R. Chelikowsky, and S.G. Louie, “Quantum Confinement and Optical Gaps in Si Nanocrystals“, Phys. Rev. Lett.79, 1770 (1997).
235. E.L. Shirley, X.-J. Zhu, and S.G. Louie, “Core polarization in solids: Formulation and application to semiconductors“, Phys. Rev. B56, 6648 (1997).
236. B.G. Pfrommer, M. Cote, S.G. Louie, and M.L. Cohen, “Ab initiostudy of silicon in theR8 phase“, Phys. Rev. B 56, 6662 (1997).
237. F. Mauri, B.G. Pfrommer, and S.G. Louie, “Ab initioNMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous Carbon“, Phys. Rev. Lett.79, 2340 (1997).
238. S.G. Louie, “First-Principles Theory of Electron Excitation Energies in Solids, Surfaces, and Defects”, inTopics in Computational Materials Science, ed. C. Y. Fong (World Scientific, Singapore, 1997) p. 96.
239. Zakharov, M.L. Cohen, S.G. Louie, and D.R. Penn, “Dynamical Screening at the Metal-Semiconductor Interface and Excitonic Superconductivity“, J. of Phys. C: Cond. Matt.9, 8501 (1997).
240. Rubio, J.A. Alonso, X. Blase, and S.G. Louie, “Theoretical Models for the Optical Properties of Clusters and Nanostructures“, Int. J. of Mod. Phys. B11, 2727 (1997).
241. P. Delaney, H.J. Choi, J. Ihm, S.G. Louie, and M.L. Cohen, “Broken Symmetry and Pseudogaps in Ropes of Carbon Nanotubes“, Nature391, 466 (1998).
242. S. Han, J. Ihm, S.G. Louie, and M.L. Cohen, “Enhancement of Surface Hardness: Boron on Diamond (111)“, Phys. Rev. Lett.80, 995 (1998).
243. Kralik, E.K. Chang, and S. G. Louie, “Structural properties and quasiparticle band structure of zirconia“, Phys. Rev. B57, 7027 (1998).
244. M. Rohlfing and S. G. Louie, “Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters“, Phys. Rev. Lett.80, 3320 (1998).
245. Y.-G. Yoon, B.G. Pfrommer, F. Mauri, and S. G. Louie, “NMR Chemical Shifts in Hard Carbon Nitride Compounds“, Phys. Rev. Lett.80, 3388 (1998).
246. J.C. Grossman, M. Cote, S.G. Louie, and M.L. Cohen, “Electronic and Structural Properties of Molecular C36“, Chem. Phys. Lett.284, 344 (1998).
247. M. Rohlfing and S.G. Louie, “Quasiparticle band structure of HgSe“, Phys. Rev. B57, R9392 (1998).
248. B.G. Pfrommer, S.G. Louie, and H. Simon, “Conjugate-Gradient Based Electronic Structure Calculations in the Cray T3E and SGI Power Challenge,Proceedings Eighth SIAM Conference on Parallel Processing for Scientific Computing
249. L.X. Benedict, N.G. Chopra, M.L. Cohen, A. Zettl, S.G. Louie, and V.H. Crespi, “Microscopic Determination of the Interlayer Binding Energy in Graphite“, Chem. Phys. Lett.286, 490 (1998).
250. S. Ogut, J.R. Chelikowsky, and S.G. Louie, “Reply to a Comment on ‘Quantum Confinement and Optical Gaps in Si Nanocrystals:‘” Phys. Rev. Lett.80, 3162 (1998).
251. Kralik, P. Delaney, and S.G. Louie, “Correlation Effects in the Compton Profile of Silicon“, Phys. Rev. Lett.80, 4253 (1998).
252. Elsasser, J. Zhu, S.G. Louie, M. Fahnle, and C.T. Chan, “Ab InitioStudy of Iron and Iron Hydride: I. Cohesion, Magnetism and Electronic Structure of Cubic Fe and FeH“, J. Phys.: Cond. Matt.10, 5081 (1998).
253. C. Elsasser, Jing Zhu, S.G. Louie, B. Meyer, M. Fahnle, and C.T. Chan, “Ab InitioStudy of Iron and Iron Hydride: II. Structural and Magnetic Properties of Close-Packed Fe and FeH“, J. Phys.: Cond. Matt.10, 5113 (1998).
254. C. Elsasser, H. Krimmel, M. Fahnle, S.G. Louie, and C.T. Chan, “Ab InitioStudy of Iron and Iron Hydride: III. Vibrational States of H Isotopes in Fe, Cr and Ni“, J. Phys.: Cond. Matt.10, 5131 (1998).
255. M. Cote, J.C. Grossman, M.L. Cohen, and S.G. Louie, “Electron-Phonon Interactions in SolidC₃₆“, Phys. Rev. Lett.81, 697 (1998).
256. M. Cote, J.C. Grossman, M.L. Cohen, and S.G. Louie, “Electronic, Structural and Superconducting Properties of Molecular and Solid C36”, inProceedings of the Symposium on: Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 6 (The Electrochemical Society, 1998) p. 33.
257. P. Delaney, B. Kralik, and S.G. Louie, “Compton profiles of Si: Pseudopotential calculation and reconstruction effects“, Phys. Rev. B58, 4320 (1998).
258. S. Saito, S.G. Louie, and M.L. Cohen, “Tight-Binding Formalism for Ionic Fullerides and Its Application to Alkali-C60 Polymers”, inMat. Res. Soc. Symp.Proc.491, 395 (1998).
259. M. Cote, J.C. Grossman, M.L. Cohen, and S.G. Louie, “Theoretical study of a three-dimensional all-sp²structure“, Phys. Rev. B58, 664 (1998).
260. M. Rohlfing and S.G. Louie, “Electron-Hole Excitations in Semiconductors and Insulators“, Phys. Rev. Lett.81, 2312 (1998).
261. P. Cervantes, Q. Williams, M. Cote, M. Rohlfing, M.L. Cohen, and S.G. Louie, “Band structures of CsCl-structured BaS and CaSe at high pressure: Implications for metallization pressures of the alkaline earth chalcogenides“, Phys. Rev. B58, 9793 (1998).
262. B.G. Pfrommer and S.G. Louie, “Density-functional study of the magnetic and metal-insulator transition of bcc hydrogen“, Phys. Rev. B58, 12680 (1998).
263. M.S. Fuhrer, U. Varadarajan, W. Holmes, P.L. Richards, P. Delaney, S.G. Louie, and A. Zettl, “Transport and localization in single-walled carbon nanotubes”, inAIP Conference Proceedings(no. 442),Electronic Properties of Novel Materials – Progress in Molecular Nanostructures(XI International Winterschool, Kirchberg Tyrol, Austria, March 1998) p. 69.
264. J.R. Chelikowsky, S. Ogut, and S.G. Louie, “Optical Gaps and Screening in Quantum Dots”, inComputational Modeling and Simulation of Materials, ed. P. Vincenzini (Proceedings of the 9th CIMTEC World Ceramic Congress and Forum on New Materials, 1999).
265. P.G. Collins, J.C. Grossman, M. Cote, M. Ishigami, C. Piskoti, S.G. Louie, M.L. Cohen, and A. Zettl, “Scanning Tunneling Spectroscopy ofC₃₆“, Phys. Rev. Lett.82, 165 (1999).
266. M. Rohlfing and S.G. Louie, “Optical Excitations in Conjugated Polymers“, Phys. Rev. Lett.82, 1959 (1999).
267. J.C. Grossman, W.A. Lester, Jr., and S.G. Louie, “Cyclopentadiene Stability: Quantum Monte Carlo, Coupled Cluster, and Density Functional Theory Determinations“, Molecular Phys.96, 629 (1999).
268. S.-H. Jhi, J. Ihm, S.G. Louie, and M.L. Cohen, “Electronic Mechanism of Hardness Enhancement in Transition-Metal Carbonitrides“, Nature399, 132 (1999).
269. M.S. Fuhrer, W. Holmes, P.L. Richards, P. Delaney, S.G. Louie, and A. Zettl “Nonlinear Transport and Localization in Single-Walled Carbon Nanotubes“, Synthetic Met.103, 2529 (1999).
270. M. Rohlfing and S.G. Louie, “Excitons and Optical Spectrum of theSi(111)-(2x 1) Surface“, Phys. Rev. Lett. 83, 856 (1999).
271. S. Ogut, J.R. Chelikowsky, and S.G. Louie, “Comment on ‘Quantum Confinement and Optical Gaps in Si Nanocrystals’ – Reply” Phys. Rev. Lett.83, 1270 (1999).
272. Mauri, B.G. Pfrommer, and S.G. Louie, “Signature of surface states on NMR chemical shifts: A theoretical prediction“, Phys. Rev. B60, 2941 (1999).
273. Mizel, L.X. Benedict, M.L. Cohen, S.G. Louie, A. Zettl, N.K. Budraa, and W.P. Beyermann, “Analysis of the low-temperature specific heat of multiwalled carbon nanotubes and carbon nanotube ropes“, Phys. Rev. B60, 3264 (1999).
274. J.C. Grossman, A. Mizel, M. Cote, M.L. Cohen, and S.G. Louie, “Transition metals and their carbides and nitrides: Trends in electronic and structural properties“, Phys. Rev. B60, 6343 (1999).
275. J.C. Grossman, S.G. Louie, and M.L. Cohen, “SolidC₃₆: Crystal structures, formation, and effects of doping“, Phys. Rev. B Rapid Comm.60, R6941 (1999).
276. P. Delaney, H.J. Choi, J. Ihm, S.G. Louie, and M.L. Cohen, “Broken symmetry and pseudogaps in ropes of carbon nanotubes“, Phys. Rev. B60, 7899 (1999).
277. M. Rohlfing and S. G. Louie, “Optical Reflectivity of the Si(111) – (2×1) Surface. The Role of the Electron-Hole Interaction“, Phys. Status Solidi (a)175, 17 (1999).
278. Y. Miyamoto, A. Rubio, S. G. Louie and M. L. Cohen, “Self-inductance of chiral conducting nanotubes“, Phys. Rev. B60, 13885 (1999).
279. M. Rohlfing and S. G. Louie, “Quasiparticle and Optical Excitations in Solids and Clusters”,Electron Correlations and Materials Properties, eds. A. Gonis, N. Kioussis, and M. Ciftan (Kluwer Academic/Plenum, New York, 1999), p. 309.
280. H. J. Choi, J. Ihm, Y.-G. Yoon, and S. G. Louie. “Possible explanation for the conductance of a single quantum unit in metallic carbon nanotubes“, Phys. Rev. B60, R14009 (1999).
281. P. L. McEuen, M. Bockrath, D. H. Cobden, Y.-G. Yoon, and S. G. Louie, “Disorder, Pseudospins, and Backscattering in Carbon Nanotubes“, Phys. Rev. Lett.83, 5098 (1999).
282. B. G. Pfrommer, F. Mauri, and S. G. Louie, “NMR Chemical Shifts of Ice and Liquid Water: The Effects of Condensation“, J. Am. Chem. Soc.122, 123 (1999).
283. Zettl, C. Piskoti, J.C. Grossman, M.L. Cohen, and S.G. Louie. “Effect of Alkali Doping on the Structural Stability of Solid C36”, inAIP Conference Proceedings(no. 486),Electronic Properties of Novel Materials – Science and Technology of Molecular Nanostructures(13th International Winterschool, Kirchberg, Austria, 27 Feb.-6 March 1999) p. 183.
284. J. C. Grossman, W. A. Lester, and S. G. Louie, “Quantum Monte Carlo and density functional theory characterization of 2-cyclopentenone and 3-cyclopentenone formation from O(P-3) plus cyclopentadiene“, J. Am. Chem. Soc.122, 705 (2000).
285. M. L. Cohen, S. G. Louie, and A. Zettl, “Random Access of Nanodevices“, Solid State Comm113, 549 (2000).
286. H. J. Choi, J. Ihm, S. G. Louie, and M. L. Cohen, “Defects, Quasibound States, and Quantum Conductance in Metallic Carbon Nanotubes“, Phys. Rev. Lett.84, 2917 (2000).
287. M. S. Fuhrer, J. Nygard, L. Shih, M. Forero, Y.-G. Yoon, M. S. C. Mazzoni, H. J. Choi, J. Ihm, S. G. Louie, A. Zettl, and P. L. McEuen, “Crossed Nanotube Junctions“, Science288, 494 (2000).
288. J. C. Grossman, C. Piskoti, S. G. Louie, M. L. Cohen, and A. Zettl, “Molecular and Solid C36”, inFullerenes: Chemistry, Physics, and Technology, edited by K.M. Kadish and R.S. Ruoff (John Wiley & Sons, Inc., 2000), p. 887.
289. X. Blase, K. Lin, A. Canning, S. G. Louie, and D. C. Chrzan “Structure and Energy of the 90degPartial Dislocation in Diamond: A CombinedAb Initioand Elasticity Theory Analysis“, Phys. Rev. Lett. 84, 5780 (2000).
290. S.G. Louie, “Electronic Structure of Carbon and Boron-Carbon-Nitrogen Nanotubes”, inFullerene-Based and Fullerene-Related Materials, ed. W. Andreoni (Kluwer, Dordrecht, 2000), p. 381.
291. S.-H. Jhi, S. G. Louie, and M. L.Cohen, “Electronic Properties of Oxidized Carbon Nanotubes“, Phys. Rev. Lett.85, 1710 (2000).
292. Mauri, A. Pasquarello, B. G. Pfrommer, Y.-G. Yoon, and S. G. Louie, “Si-O-Si bond-angle distribution in vitreous silica from first-principles²⁹SiNMR analysis“, Phys. Rev. B 62, R4786 (2000).
293. M. Rohlfing and S. G. Louie, “Electron-hole excitations and optical spectra from first principles“, Phys. Rev. B62, 4927 (2000).
294. E. K. Chang, M. Rohlfing, and S. G. Louie, “Excitons and Optical Properties ofalpha-Quartz“, Phys Rev. Lett. 85, 2613 (2000).
295. K. Bradley, S.H. Jhi, P.G. Collins, J. Hone, M.L. Cohen, S.G. Louie, A. Zettl, “Is the Intrinsic Thermoelectric Power of Carbon Nanotubes Positive?“, Phys. Rev. Lett.85, 4361 (2000).
296. E.K. Chang, M. Rohlfing, and S.G. Louie, “First-Principles Study of Optical Excitations in Alpha-Quartz”, inThe Optical Properties of Materials, MRS Symp. Proceed. Vol.579, eds. E.L. Shirley, J.R. Chelikowsky, S.G. Louie, and G. Martinez (Materials Research Society, Warrendale, 2000), p. 3.
297. S.Ogut, J.R. Chelikowsky, and S.G. Louie, “Optical Properties of Silicon Nanocrystals: A First Principles Study,” The Optical Properties of Materials, MRS Symp. Proceed. Vol.579, eds. E.L. Shirley, J.R. Chelikowsky, S.G. Louie, and G. Martinez (Materials Research Society, Warrendale, 2000), p. 81.
298. P. H. Zhang, V.H. Crespi, E. Chang, S.G. Louie, and M.L. Cohen, “Computational Design of Direct-Bandgap Semiconductors that Lattice-Match Silicon“, Nature409, 69 (2001).
299. M. Rohlfing, M.L. Tiago, and S.G. Louie, “First-principles Calculation of Optical Absorption Spectra in Conjugated Polymers: Role of Electron-hole Interaction“, Synthetic Metals116, 101 (2001).
300. J.C. Grossman, M. Rohlfing, L. Mitas, S.G. Louie, and M.L. Cohen, “High Accuracy Many-Body Calculational Approaches for Excitations in Molecules“, Phys. Rev. Lett.86, 472 (2001).
301. J. Lei, H. Sun, K.W. Yu, S.G. Louie, and M.L. Cohen, “Image potential states on periodically corrugated metal surfaces“, Phys. Rev. B63, 045408 (2001).
302. Y.-G. Yoon, M.S.C. Mazzoni, H.J. Choi, J. Ihm, and S.G. Louie, “Structural Deformation and Intertube Conductance of Crossed Carbon Nanotube Junctions“, Phys. Rev. Lett.86, 688 (2001).
303. S.G. Louie, “Electron-hole Interaction and Optical Excitations in Solids, Surfaces, and Polymers”, inProceedings of the 3^rdJapan-Korea Joint Workshop on First-Principles Electronic Structure Calculations (JK2000), Tsukuba, Japan (2001), p. 77.
304. G.-M. Rignanese, X. Blase, and S.G. Louie, “Quasiparticle Effects on Tunneling Currents: A Study ofC₂H₄Adsorbed on the Si(001)- (2x  1) Surface“, Phys. Rev. Lett. 86, 2110 (2001).
305. S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie, “Ab initioGWquasiparticle energies of small sodium clusters by an all-electron mixed-basis approach“, Phys. Rev. B 63, 155104 (2001).
306. S.-H. Jhi, S.G. Louie, M.L. Cohen, and J. Ihm “Vacancy Hardening and Softening in Transition Metal Carbides and Nitrides“, Phys. Rev. Lett.86, 3348 (2001).
307. M.L. Tiago, E.K. Chang, M. Rohlfing, and S.G. Louie, “Ab InitioStudy of Optical Absorption Spectra of Semiconductors and Conjugated Polymers”,inProceedings of 25th International Conference on the Physics of Semiconductors, eds. N. Miura and T. Ando (Springer-Verlag, Berlin, 2001), p.79.
308. Y.-H. Kim, K.J. Chang, and S.G. Louie, “Band-gap Modification by Radial Deformation in C, BN, and BC₃Nanotubes”,inProceedings of 25th International Conference on the Physics of Semiconductors, eds. N. Miura and T. Ando (Springer-Verlag, Berlin, 2001), p. 1645.
309. Y.-H. Kim, K.J. Chang, and S.G. Louie, “Electronic structure of radially deformed BN andBC₃nanotubes“, Phys. Rev. B. 63, 205408 (2001).
310. S.G. Louie, “Ab InitioStudy of Optical Excitations: Role of Electron-hole Interaction”, inConference Proceedings (no. 577),Density Functional Theory and Its Appl. to Materials, eds. V.E. Van Doren, K. Van Alsenoy, and P. Geerlings (American Institute of Physics, Melville, N.Y. 2001), p. 151.
311. S.G. Louie, “Electronic Properties, Junctions, and Defects of Carbon Nanotubes“, inCarbon Nanotubes,Topics in Applied Physics 80, eds. M.S. Dresselhaus, G. Dresselhaus, and P. Avouris (Springer-Verlag, Heidelberg, 2001), p. 113.
312. S.-H. Jhi, S.G. Louie, M.L. Cohen, and J.W. Morris, Jr., “Mechanical Instability and Ideal Shear Strength of Transition Metal Carbides and Nitrides“, Phys. Rev. Lett.87, 075503 (2001).
313. S. Ismail-Beigi, E.K. Chang, and S.G. Louie, “Coupling of Nonlocal Potentials to Electromagnetic Fields“, Phys. Rev. Lett.87, 087402 (2001).
314. Sun, S.-H. Jhi, D. Roundy, M.L. Cohen, and S.G. Louie, “Structural forms of cubicBC₂N“, Phys. Rev. B 64, 094108 (2001).
315. Y.-G. Yoon and S.G. Louie, “Electronic Structure and Quantum Conductance of Carbon Nanotubes”, inNanostructured Carbon for Advanced Applications, eds G. Benedek et al (Kluwer,Dordrecht, 2001), p. 233.
316. E.K. Chang, X. Blase, and S.G. Louie, “Quasiparticle band structure of lanthanum hydride“, Phys. Rev. B64, 155108 (2001).
317. S.G. Louie, “Electronic Structure and Quantum Conductance of Nanotube Structures: Defects, Crossed-Tube Junctions, and Nanopeapods”, inNanonetwork Materials: Fullerenes, Nanotubes, and Related Systems, ed. S. Saito et al, American Institute of Physics, 101 (2001).
318. C.D. Spataru, M.A. Cazalilla, A. Rubio, L.X. Benedict, P.M. Echenique, and S.G. Louie, “Anomalous Quasiparticle Lifetime in Graphite: Band Structure Effects“, Phys. Rev. Lett.87, 246405 (2001).
319. P. H. Zhang, V.H. Crespi, E. Chang, S. G. Louie, and M.L. Cohen, “Theory of metastable group-IV alloys formed from CVD precursors“, Phys. Rev. B64, 235201 (2001).
320. J.C. Grossman, M.E. Colvin, N.L. Tran, S.G. Louie, and M.L. Cohen, “Aromaticity and Hydrogenation Patterns in Highly Strained Fullerenes“, Chem. Phys. Lett.356, 247 (2002).
321. S. Ishii, K. Ohno, Y. Kawazoe, and S.G. Louie, “Ab initio GWquasiparticle calculation of small alkali-metal clusters“, Phys. Rev. B65, 245109 (2002).
322. B. Sadigh, T.J. Lenosky, M.-J. Caturla, A.A. Quong, L.X. Benedict, T. Diaz de la Rubia, M.M. Giles, M. Foad, C.D. Spataru, and S.G. Louie, “Large Enhancement of Boron Solubility in Silicon Due to Biaxial Stress“, Appl. Phys. Lett.80, 4738 (2002).
323. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, “The Origin of the Anomalous Superconducting Properties of MgB₂” Nature418, 758 (2002).
324. J.-L. Li, G.-M. Rignanese, E.K. Chang, X. Blase, and S.G. Louie, “GWstudy of the metal-insulator transition of bcc hydrogen“, Phys. Rev. B66, 035102 (2002).
325. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, “First-principles calculation of the superconducting transition inMgB₂within the anisotropic Eliashberg formalism“, Phys. Rev. B 66, 020513 (2002).
326. Y.-G. Yoon, P. Delaney, and S.G. Louie, “Quantum conductance of multiwall carbon nanotubes“, Phys. Rev. B66, 073407 (2002).
327. S.-H. Jhi, S.G. Louie, and M.L. Cohen, “Electronic Properties of Bromine-Doped Carbon Nanotubes“, Solid State Communications123, 495 (2002).
328. L.X. Benedict, C.D. Spataru, and S.G. Louie, “Quasiparticle properties of a simple metal at high electron temperatures“, Phys. Rev. B66, 085116 (2002).
329. J.E. Northrup, M.L. Tiago, and S.G. Louie, “Surface energetics and growth of pentacene“, Phys. Rev B66, 121404 (2002).
330. W. D. Luo, S. Ismail-Beigi, M.L. Cohen, and S.G. Louie, “Quasiparticle band structure of ZnS and ZnSe“, Phys. Rev. B66, 195215 (2002).
331. V. Madhavan, T. Jamneala, K. Nagaoka, W. Chen, J.L. Li, S.G. Louie, and M.F. Crommie, “Observation of spectral evolution during the formation of aNi₂Kondo molecule“, Phys. Rev. B 66, 212411 (2002).
332. H.J. Choi, D. Roundy, H. Sun, M.L. Cohen, and S.G. Louie, “Superconductivity of MgB₂from First-Principles”,CIMTEC 2002-3^rdForum on New Materials, 2^ndInternational Conference “Computational Modelling and Simulation of Materials”, eds. P. Vincenzini, A Lami (Techna, 2003), p. 15.
333. S. Ismail-Beigi and S.G. Louie, “Excited-State Forces within a First-Principles Green’s Function Formalism“, Phys. Rev. Lett.90, 076401 (2003).
334. H.J. Choi, M.L. Cohen, and S.G. Louie, “Anisotropic Eliashberg Theory of MgB₂: T_c, Isotope Effects, Superconducting Energy Gaps, Quasiparticles, and Specific Heat“, Physica C385, 66 (2003).
335. X. H. Lu, M. Grobis, K.H. Khoo, S.G. Louie, and M.F. Crommie, “Spatially Mapping the Spectral Density of a SingleC₆₀Molecule“, Phys. Rev. Lett. 90, 096802 (2003).
336. J.A. Alford, M.Y. Chou, E.K. Chang, and S.G. Louie, “First-principles studies of quasiparticle band structures of cubicYH₃and LaH₃“, Phys. Rev. B 67, 125110 (2003).
337. M.L. Tiago, J.E. Northrup, and S.G. Louie, “Ab initiocalculation of the electronic and optical properties of solid pentacene“, Phys. Rev. B67115212 (2003).
338. W.L. Yang, V. Brouet, X.J. Zhou, H.J. Choi, S.G. Louie, M.L. Cohen, S.A. Kellar, P.V. Bogdanov, A. Lanzara, A. Goldoni, F. Parmigiani, Z. Hussain, and Z.-X. Shen, “Band Structure and Fermi Surface of Electron-Doped C₆₀Monolayers“, Science300, 303 (2003).
339. M. Cardona, M.L. Cohen, and S.G. Louie, “Leopoldo Maximo Falicov 1933-1995“,Biographical Memoirs83, The National Academy Press, Washington, D.C. (2003), p. 3.
340. S.G. Louie, “Recollections of Walter Kohn”,Walter Kohn: Personal Stories and Anecdotes Told by Friends and Collaborators, eds. M. Scheffler, P. Weinberger (Springer-Verlag, 2003), p. 138.
341. Y.G. Yoon, M.S.C. Mazzoni, and S.G. Louie, “Quantum Conductance of Carbon Nanotube Peapods“, Appl. Phys. Lett.83, 5217 (2003).
342. M. Grobis, X. H. Lu, K. H. Khoo, S.G. Louie, and M.F. Crommie, “Energy Resolved Imaging of  Fullerene Molecular Orbitals“, AIP Conference Proceedings696, Issue 1 (2003), p.20.
343. Sun, F.J. Ribeiro, J.-L. Li, D. Roundy, M.L. Cohen, and S.G. Louie, “Ab initiopseudopotential studies of equilibrium lattice structures and phonon modes of bulkBC₃“, Phys. Rev B 69, 024110 (2004).
344. J. Choi, D. Roundy, H. Sun, M. L. Cohen, and S. G. Louie,Reply to “Comment on `First-principles calculation of the superconducting transition inMgB₂within the anisotropic Eliashberg formalism’ “, Phys. Rev. B 69, 056502 (2004).
345. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie, “Excitonic Effects and Optical Spectra of Single-Walled Carbon Nanotubes“, Phys. Rev. Lett.92, 077402 (2004).
346. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie, “Quasiparticle Energies, Excitonic Effects and Optical Absorption Spectra of Small-diameter Single-walled Carbon Nanotubes“, Appl. Phys. A78, 1129 (2004).347. M. L. Tiago, S. Ismail-Beigi, and S. G. Louie,Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximation, Phys. Rev. B 69, 125212 (2004).348. K. H. Khoo, M. S. C. Mazzoni, and S. G. Louie, Tuning the electronic properties of boron nitride nanotubes with transverse electric fields: A giant dc Stark effect, Phys. Rev. B 69, 201401 (2004).
347. L. Tiago, S. Ismail-Beigi, and S. G. Louie, “Effect of Semicore Orbitals on the Electronic Band Gaps of Si, Ge, and GaAs Within the GW Approximation,” Phys. Rev. B 69, 125212 (2004).
348. H. Khoo, M. S.C. Mazzoni, and S. G. Louie, “Tuning the Electronic Properties of Boron Nitride Nanotubes with Transverse Electric Fields:  A Giant DC Stark Effect,” Phys. Rev. B 69, 201401 (2004).
349. C. D. Spataru, L. X. Benedict, and S. G. Louie, Ab initiocalculation of band-gap renormalization in highly excited GaAs,Phys. Rev. B 69, 205204 (2004).
350. S. Saito, K. Umemoto, S. G. Louie, and M. L. Cohen, “Energetics and structural stability of Cs₃C₆₀“, Solid State Commun.130, 335 (2004).
351. Y.-G. Yoon, B. G. Pfrommer, S. G. Louie, and A. Canning, “NMR chemical shifts in amino acids: effects of environments in the condensed phase“, Solid State Commun.131, 15 (2004).352. P. Tangney, S. G. Louie, and M. L. Cohen,”Dynamic Sliding Friction between Concentric Carbon Nanotubes“, Phys. Rev. Lett. 93, 065503 (2004).
352. P. Tangney, S. G. Louie, and M. L. Cohen, “Dynamic Sliding Friction Between Concentric Carbon Nanotubes,” Phys. Rev. Lett. 93, 065503 (2004).
353. P. H. Zhang, W. D. Luo, V. H. Crespi, M. L. Cohen, and S. G. Louie, “Doping effects on the electronic and structural properties ofCoO₂: An LSDA+Ustudy“, Phys. Rev. B 70, 085108 (2004).
354. X. H. Lu, M. Grobis, K. H. Khoo, S. G. Louie, and M. F. Crommie, “Charge transfer and screening in individualC₆₀molecules on metal substrates: A scanning tunneling spectroscopy and theoretical study“, Phys. Rev. B 70, 115418 (2004).
355. R. B. Capaz, C. D. Spataru, P. Tangney, M. L. Cohen, and S. G. Louie, “Hydrostatic pressure effects on the structural and electronic properties of carbon nanotubes“, phys. stat. sol. (b)241, 3352 (2004).
356. M. Ishigami, H. J. Choi, S. Aloni, S. G. Louie, M. L. Cohen, and A. Zettl, “Identifying Defects in Nanoscale Materials“, Phys. Rev. Lett.93, 196803 (2004).
357. V. Brouet, W. L. Yang, X. J. Zhou, H. J. Choi, S. G. Louie, M. L. Cohen, A. Goldoni, F. Parmigiani, Z. Hussain, and Z. X. Shen, “Orientation-DependentC₆₀Electronic Structures Revealed by Photoemission Spectroscopy“, Phys. Rev. Lett. 93, 197601 (2004).
358. M. L. Tiago, M. Rohlfing, and S. G. Louie, “Bound excitons and optical properties of bulktrans-polyacetylene“, Phys. Rev. B70, 193204 (2004).
359. Trave, F. J. Ribeiro, S. G. Louie, and M. L. Cohen, “Energetics and structural characterization ofC₆₀polymerization in BN and carbon nanopeapods“, Phys. Rev. B 70, 205418 (2004).360. P. H. Zhang, W. D. Luo, M. L. Cohen, and S. G. Louie,”Fermi Surface of Na_xCoO₂“, Phys. Rev. Lett. 93, 236402 (2004).361. W. D. Luo, W. Duan, S. G. Louie, and M. L. Cohen, “Structural and electronic properties of n-doped and p-doped SrTi O₃ “, Phys. Rev. B 70, 214109 (2004).
360. P.H. Zhang, W.D. Luo, S. G. Louie and M. L. Cohen, “Fermi Surface of Na_xCoO₂, Phys. Rev. Lett. 93, 236402 (2004).
361. W.D. Luo, W. Duan, S. G. Louie and M. L. Cohen, “Structural and Electronic Properties of n-Doped and p-Doped SrTiO₃,” Phys. Rev. B 70, 214109 (2004).
362. R. B. Capaz, C. D. Spataru, P. Tangney, M. L. Cohen, and S. G. Louie, “Temperature Dependence of the Band Gap of Semiconducting Carbon Nanotubes“, Phys. Rev. Lett.94, 036801 (2005).
363. M.L. Tiago, S. Ismail-Beigi, and S.G. Louie,“Photoisomerization of Azobenzene from First-Principles Constrained Density-Functional Calculations,”J. Chem. Phys.122, 094311 (2005).364. M. Grobis, K.H. Khoo, R. Yamachika, X Lu, K. Nagaoka, S.G. Louie, M.F. Crommie, H. Kato and H. Shinohara, “Spatially Dependent Inelastic Tunneling in a Single Metallofullerene,” Phys. Rev. Lett 94, 136802 (2005).365. P.H. Zhang, R.B. Capaz, M. L. Cohen, and S.G. Louie, “Theory of Sodium Ordering in NaxCoO2,” Phys. Rev. B 71, 153102 (2005).
364. M. Grobis, K. H. Khoo, R. Yamachika, X. Lu, K. Nagaoka, S. G. Louie, M. F. Crommie, H. Kato and H. Shinohara, “Spatially Dependent Inelastic Tunneling in a Single Metallofullerene,” Phys. Rev. Lett. 94, 136802 (2005).
365. P.H. Zhang, R.B. Capaz, M. L. Cohen, and S. G. Louie, “Theory of Sodium Ordering in Na_xCoO₂,” Phys. Rev. B 71, 153102 (2005).
366. S.Y. Zhou, G-H. Gweon, C.D. Spataru, J. Graf, D.-H. Lee, S.G. Louie and A. Lanzara, “Coexistence of Sharp Quasiparticle Dispersion and Disorder Features in Graphite,”Phys. Rev. B71, 161403 (2005).
367. S.-H. Jhi, D. J. Roundy, S. G. Louie, and M. L. Cohen, “Formation and Electronic Properties of Double-Walled Boron Nitride Nanotubes,”Solid State Communications134, 397 (2005).
368. P.H. Zhang, S.G. Louie, and M.L. Cohen,“Nonlocal Screening, Electron-Phonon coupling, and Phonon Renormalization in Metals,”Phys. Rev. Lett. 94, 225502 (2005).
369. J.L. Li, G.M. Rignanese, and S.G. Louie, “Quasiparticle Energy Bands of NiO in the GW Approximation,”Phys. Rev B71, 193102 (2005).
370. R.B. Capaz, C.D. Spataru, P. Tangney, M.L. Cohen, and S.G. Louie, “Temperature and hydrostatic pressure effects on the band gap of semiconducting carbon nanotubes,”27th Conference on the Physics of Semiconductors,AIP Conference  Proceedings  772,  1047 (2005).
371. C.D. Spataru, S. Ismail-Beigi, L.X. Benedict, and S.G. Louie,“Excitonic Effects and Optical Spectra of Single-Walled Carbon Nanotubes,”27th Conference on the Physics of Semiconductors, AIP Conference Proceedings 772,  1061 (2005).
372. S.G. Louie and A. Rubio, “Quasiparticle and Optical Properties of Solids and Nanostructures: The GW-BSE Approach,”Handbook of Materials Modeling, ed. S. Yip (Springer, Dordrecht, The Netherlands, 2005), p. 215
373. B. Neaton, K. H. Khoo, C. D. Spataru, and S. G. Louie, “Electron Transport and Optical Properties of Carbon Nanostructures from First Principles,”Computer Phys. Comm.169, 1 (2005).
374. F. J. Ribeiro, J. B. Neaton, S. G. Louie, and M. L. Cohen, “Mechanism for Bias-assisted Indium Mass Transport on Carbon Nanotube Surfaces,”Phys. Rev. B72, 075302 (2005).
375. Grobis, K.H. Khoo, R. Yamachika, X. Lu, K. Nagaoka, S.G. Louie, H. Kato, H. Shinohara, and M.F. Crommie,“Spatially Dependent Inelastic Tunneling in Gd@C₈₂,”XIX International Winterschool/Euroconference on Electronic Properties of Novel Materials, AIP Conference  Proceedings 786, 8 (2005).
376. R.B. Capaz, C.D. Spataru, P. Tangney,  M.L. Cohen, and S.G. Louie,“Family behavior of the pressure and temperature dependences of  the band gap of semiconducting carbon nanotubes,?XIX International Winterschool/Euroconference on Electronic Properties of Novel Materials, AIP Conference  Proceedings 786, 411 (2005).
377. S. Ismail-Beigi and S.G. Louie,“Self-Trapped Excitons in Silicon Dioxide:  Mechanism and Properties,”Phys. Rev. Lett. 95, 156401 (2005).
378. Wachowiak, R. Yamachika, K.H. Khoo, Y Wang, M. Grobis, D.-H. Le, S.G. Louie, and M.F. Crommie,“Visualization of the Molecular Jahn-Teller Effect in an Insulating K₄C₆₀Monolayer, “Science 310, 468 (2005).
379. P.T. Tangney, R.B. Capaz, C.D. Spataru, M.L. Cohen, and S.G. Louie,“Structural Transformations of Carbon Nanotubes under Hydrostatic Pressure,”Nano Lett. 5, 2268 (2005).
380. Y.-W. Son, J. Ihm, M.L. Cohen, S.G. Louie, and H.J. Choi,“Electrical Switching in Metallic Carbon Nanotubes,”Phys. Rev. Lett. 95, 216602 (2005).
381. S.-H. Jhi, S.G. Louie, and M.L. Cohen,“Reentrant Semiconducting Behavior of Zigzag Carbon Nanotubes at Substitutional Doping by Oxygen Dimers,”Phys. Rev. Lett. 95, 226403 (2005).
382. C.D. Spataru, S. Ismail-Beigi, R.B. Capaz, and S.G. Louie,“Theory and Ab Initio Calculation of Radiative Lifetime of Excitons in Semiconducting Carbon Nanotubes,”Phys. Rev. Lett. 95, 247402 (2005).
383. F.J. Ribeiro, P. Tangney, S.G. Louie, and M.L. Cohen,“Structural and Electronic Properties of Carbon in Hybrid Diamond-graphite Structures,”Phys. Rev. B 72, 214109 (2005)
384. C.H. Park, C.D. Spataru, and S.G. Louie,“Excitons and Many-Electron Effects in the Optical Response of Single-Walled Boron Nitride Nanotubes,”Phys. Rev. Lett. 96, 126105 (2006).
385. H.J. Choi, M.L. Cohen, and S.G. Louie,“Anisotropic Eliashberg Theory and the Two-Band Model for the Superconducting Properties of MgB2,”Phys. Rev. B 73, 104520 (2006).
386. S.B. Cronin, Y. Yin, A. Walsh, R.B. Capaz, A. Stolyarov, P. Tangney, M.L. Cohen, S.G. Louie, A.K. Swan, M.S. Unlu, B.B. Goldberg, and M. Tinkham,“Temperature Dependence of the Optical Transition Energies of Carbon Nanotubes: The Role of Electron-Phonon Coupling and Thermal Expansion,”Phys. Rev. Lett. 96, 127403 (2006).
387. E.B. Barros, R.B. Capaz, A. Jorio, G.G. Samsonidze, A.G. Souza Filho, S. Ismail-Beigi, C.D. Spataru, S.G. Louie, G. Dresselhaus, and M.S. Dresselhaus,“Selection Rules for One- and Two-Photon Absorption by Excitons in Carbon Nanotubes,”Phys. Rev. B 73, 241406 (2006).
388. S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras, and S.G. Louie,“First-principles Studies of the Electronic Structure of Cyclopentene on Si(001): Density Functional Theory and GW Calculations,”Phys. Status Solidi (b) 243, 2048 (2006).
389. Y.Z. Ma, C.D. Spataru, L. Valkunas, S.G. Louie, and G.R. Fleming,“Spectroscopy of Zigzag Single-Walled Carbon Nanotubes: Comparing Femtosecond Transient Absorption Spectra with Ab Initio Calculations,”Phys. Rev. B 74, 085402 (2006).
390. S.Y. Zhou, G.-H. Gweon, J. Graf, A.V. Fedorov, C.D. Spataru, R.D. Diehl, Y. Kopelevich, D.-H. Lee, S.G. Louie, and A. Lanzara,“First Direct Observation of Dirac Fermions in Graphite,”Nature Physics 2, 595 (2006).
391. S.G. Louie,“Predicting Materials and Properties: Theory of the Ground and Excited State,”Conceptual Foundations of Materials: A Standard Model for Ground- and Excited-State Properties, vol. eds., S.G. Louie, M.L. Cohen (Elsevier, Amsterdam, 2006) p. 9.
392. R.B. Capaz, C.D. Spataru, S. Ismail-Beigi, and S.G. Louie,“Diameter and Chirality Dependence of Exciton Properties in Carbon Nanotubes,”Phys. Rev. B 74, 121401 (2006).
393. F. J. Ribeiro, P. Tangney, S. G. Louie and M. L. Cohen,“Hypothetical Hard Structures of Carbon with Cubic Symmetry,”Phys. Rev. B 74, 172101 (2006).
394. P. Tangney, M. L. Cohen, and S. G. Louie,“Giant Wave-Drag Enhancement of Friction in Sliding Carbon Nanotubes,”Phys. Rev. Lett. 97, 195901 (2006).
395. Y.-W. Son, M. L. Cohen, and S. G. Louie,“Half-Metallic Graphene Nanoribbons,”Nature 444, 347 (2006).
396. J.B. Neaton, M.S. Hybertsen, and S.G. Louie,“Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces,”Phys. Rev. Lett. 97, 216405 (2006).
397. Y.-W. Son, M.L. Cohen, and S.G. Louie,“Energy Gaps in Graphene Nanoribbons,”Phys. Rev. Lett. 97, 216803 (2006).
398. T. Miyake, P.H. Zhang, M.L. Cohen, and S.G. Louie,“Quasiparticle Energy of Semicore d-electrons in ZnS: Combined LDA+U and GW approach,”Phys. Rev. 74, 245213 (2006).
399. F. Giustino, J.R. Yates, I. Souza, M.L. Cohen, and S.G. Louie,“Electron-Phonon Interaction via Electron and Lattice Wannier Functions: Superconductivity in Boron-Doped Diamond Reexamined,”Phys. Rev. Lett. 98, 047005 (2007).
400. I.H. Choi, P.Y. Yu, P. Tangney, and S.G. Louie,“Vibrational Properties of Single Walled Carbon Nanotubes Under Pressure from Raman Scattering Experiments and Molecular Dynamics,”Phys. Status Sol. (b) 244, 121 (2007).
401. S.Y. Quek, J.B. Neaton, M.S. Hybertsen, E. Kaxiras, and S.G. Louie,“Negative Differential Resistance in Transport through Organic Molecules on Silicon,”Phys. Rev. Lett 98, 066807 (2007).
402. P. Zhang, S.G. Louie, and M.L. Cohen,“Electron-Phonon Renormalization in Cuprate Superconductors,”Phys. Rev. Lett. 98, 067005 (2007).
403. S. Saito, S.G. Louie, and M.L. Cohen,“Site Selectivities of Alkali Ions in CsRb2C60 and Cs2RbC60 Superconductors,”Solid State Comm. 142, 186 (2007).
404. S. Saito, S.G. Louie, and M.L. Cohen,“Electronic Structure and Energetics of MgB2 Nanotube,”J. Phys. Soc. Japan 76, 043707 (2007).
405. L. Yang, C. D. Spataru, S. G. Louie, and M. Y. Chou,“Enhanced Electron-hole Interaction and Optical Absorption in a Silicon Nanowire,”Phys. Rev. B 75, 201304 (2007).
406. J. Deslippe, C.D. Spataru, D. Prendergast, and S.G. Louie,“Bound Excitons in Metallic Single-walled Carbon Nanotubes,” Nano Letters 7, 1626 (2007).
407. M.J. Comstock, N. Levy, A. Kirakosian, J. Cho, F. Lauterwasser, J.H. Harvey, D.A. Strubbe, J.M.J. Frechet, D. Trauner, S.G. Louie, and M.F. Crommie,“Reversible Photomechanical Switching of Individual Engineered Molecules at a Metallic Surface,” Phys. Rev. Lett. 99, 038301 (2007).
408. Y.Y. Wang, R. Yamachika, A. Wachowiak, S.G. Louie, and M.F. Crommie,“Novel Orientational Ordering and Reentrant Metallicity in KxC60 Monolayers for 3 x 5,” Phys. Rev. Lett. 99, 086402 (2007).
409. C.-H. Park, F. Giustino, M.L. Cohen, and S.G. Louie,“Velocity Renormalization and Carrier Lifetime in Graphene from the Electron-Phonon Interaction,” Phys. Rev. Lett. 99, 086804 (2007).
410. H. J. Choi, M. L. Cohen, and S. G. Louie,“First-Principles Scattering-State Approach for Nonlinear Electrical Transport in Nanostructures,”Phys. Rev. B 76, 155420 (2007).
411. F. Giustino, M.L. Cohen, and S.G. Louie,“Electron-Phonon Interaction Using Wannier Functions,” Phys. Rev. B 76, 165108 (2007).
412. L. Yang, M.L. Cohen, and S.G. Louie,“Excitonic Effects in the Optical Spectra of Graphene Nanoribbons,” Nano Letters 7, 3112 (2007).
413. S.Y. Quek, L. Venkatarman, H.J. Choi, S.G. Louie, M.S. Hybertsen, and J.B. Neaton,“Amine-Gold Linked Single-Molecule Circuits: Experiment and Theory,” Nano Lett. 7, 3477 (2007).
414. L. Yang, C.H. Park, Y.-W. Son, M.L. Cohen, and S.G. Louie,“Quasiparticle Energies and Band Gaps of Graphene Nanoribbons,” Phys. Rev. Lett. 99, 186801 (2007).
415. Y.-W. Son, M.L. Cohen, and S.G. Louie,“Electric Field Effects on Spin Transport in Defective Metallic Carbon Nanotubes,” Nano Letters 7, 3518 (2007).
416. R.B. Capaz, C.D. Spataru, S. Ismail-Beigi, and S.G. Louie,“Excitons in Carbon Nanotubes: Diameter and Chirality Trends,” Phys. Stat. Sol. (b) 244, 4016 (2007).
417. F. Wang, D.J. Cho, B. Kessler, J. Deslippe, P.J. Schuck, S.G. Louie, A. Zettl, T.F. Heinz, and Y.R. Shen,“Observation of Excitons in One-Dimensional Metallic Single-Walled Carbon Nanotubes,” Phys. Rev. Lett. 99, 227401 (2007).
418. L. Kong, J.R. Chelikowsky, J.B. Neaton, and S.G. Louie,“Real-space Pseudopotential Calculations of Spin-dependent Electron Transport in Magnetic Molecular Junctions,” Phys. Rev. B 76, 235422 (2007).
419. B. Lee, L.-W. Wang, C.D. Spataru, and S G. Louie,“Nonlocal Exchange Correlation in Screened-exchange Density Functional Methods,”Phys. Rev. B 76, 245114 (2007).
420. C.D. Spataru, S. Ismail-Beigi, R.B. Capaz, and S.G. Louie,“Quasiparticle and Excitonic Effects in the Optical Response of Nanotubes and Nanoribbons,” in Carbon Nanotubes: Advanced Topics in the Synthesis, Structure, Properties and Applications, A. Jorio, M. S. Dresselhaus, G. Dresselhaus (eds.), Topics in Applied Physics 111 (Springer-Verlag, Heidelberg, Germany, 2008), p. 195.
421. Y.Y. Wang, E. Kioupakis, X. Lu, D. Wegner, R. Yamachika, J.E. Dahl, R.M.K. Carlson, S.G. Louie, and M.F. Crommie,“Spatially Resolved Electronic and Vibronic Properties of Single Diamondoid Molecules,” Nature Mater. 7, 38 (2008).
422. J. Deslippe and S.G. Louie,“Excitons and Many-electron Effects in the Optical Response of Carbon Nanotubes and Other One-dimensional Nanostructures,” Proc. SPIE 6892, 68920U-1 (2008).
423. P. Zhang, S. Saito, S.G. Louie, and M.L. Cohen,“Theory of the Electronic Structure of Alternating MgB2 and Graphene Layered Structures,”Phys. Rev. B 77, 052501 (2008).
424. C.-H. Park, L. Yang, Y.-W. Son, M.L. Cohen, and S.G. Louie,“Anisotropic Behaviours of Massless Dirac Fermions in Graphene Under Periodic Potentials,” Nature Physics 4, 213 (2008).
425. C.-H. Park, F. Giustino, J.L. McChesney, A. Bostwick, T. Ohta, E. Rotenberg, M.L. Cohen, and S.G. Louie,“Van Hove Singularity and Apparent Anisotropy in the Electron-phonon Interaction in Graphene,” Phys. Rev. B 77, 113410 (2008).
426. K.H. Khoo, J.B. Neaton, H.J. Choi, and S.G. Louie,“Contact Dependence of the Conductance of H2 Molecular Junctions from First Principles,” Phys. Rev. B 77, 115326 (2008).
427. Y.M. Byun, H.J. Choi, S.G. Louie, and M.L. Cohen,“Low-energy Structures of K Atoms in Expanded K3C60 Monolayers: Ab Initio Pseudopotential Density-functional Calculations,” Phys. Rev. B 77, 115418 (2008).
428. E. Kioupakis, P. H. Zhang, M. L. Cohen, and S. G. Louie,“GW Quasiparticle Corrections to the LDA+U/GGA+U Electronic Structure of bcc Hydrogen,” Phys. Rev. B 77, 155114 (2008).
429. F. Giustino, M.L. Cohen, and S.G. Louie,“Small Phonon Contribution to the Photoemission Kink in the Copper Oxide Superconductors,”Nature 452, 975 (2008).
430. J. Noffsinger, F. Giustino, S. G. Louie, and M. L. Cohen,“First-principles Study of Superconductivity and Fermi-surface Nesting in Ultrahard Transition Metal Carbides,” Phys. Rev. B 77, 180507 (2008).
431. J.D. Sau, J.B. Neaton, H.J. Choi, S.G. Louie, and M.L. Cohen,“Electronic Energy Levels of Weakly Coupled Nanostructures: C60 Metal Interfaces,” Phys. Rev. Lett. 101, 026804 (2008).
432. C.H. Park and S.G. Louie,“Energy Gaps and Stark Effect in Boron Nitride Nanoribbons,” Nano Lett. 8, 2200 (2008).
433. G. Kim, S.-H. Jhi, N. Park, S.G. Louie, and M.L. Cohen,“Optimization of Metal Dispersion in Doped Graphitic Materials for Hydrogen Storage,” Phys. Rev. B 78, 085408 (2008).
434. K.H. Khoo, J.B. Neaton, Y.W. Son, M.L. Cohen, and S.G. Louie,“Negative Differential Resistance in Carbon Atomic Wire-carbon Nanotube Junctions,” Nano Lett. 8>, 2900 (2008).
435. C.-H. Park, Y.-W. Son, L. Yang, M.L. Cohen, and S.G. Louie,“Electron Beam Supercollimation in Graphene Superlattices,” Nano Lett. 8, 2920 (2008).
436. C.-H. Park, L. Yang, Y.-W. Son, M.L. Cohen, and S.G. Louie,“New Generation of Massless Dirac Fermions in Graphene under External Periodic Potentials,” Phys. Rev. Lett. 101, 126804 (2008).
437. L. Yang, M.L. Cohen, S.G. Louie,“Magnetic Edge-state Excitons in Zigzag Graphene Nanoribbons,” Phys. Rev. Lett. 101, 186401 (2008).
438. C.-H. Park, F. Giustino, M.L. Cohen, and S.G. Louie,“Electron-phonon Interactions in Graphene, Bilayer Graphene, and Graphite,” Nano Lett. 8, 4229 (2008). [Erratum: Nano Lett. 9, 1731 (2009)]
439. J. B. Neaton, D. Prendergast, S. Whitelam, and S. G. Louie,“Understanding Nanoscale Systems at the Molecular Foundry,” SciDAC Review 10, 22 (2008).
440. C.-H. Park, F. Giustino, C.D. Spataru, M.L. Cohen, and S.G. Louie,“First-principles Study of Electron Linewidths in Graphene,” Phys. Rev. Lett. 102, 076803 (2009). [Erratum: Phys. Rev. Lett. 102, 189904(E) (2009)]
441. H.J. Choi, S.G. Louie, and M.L. Cohen,“Anisotropic Eliashberg Theory for Superconductivity in Compressed and Doped MgB2,” Phys. Rev B 79, 094518 (2009).
442. C.O. Girit, J.C. Meyer, R. Erni, M.D. Rossell, C. Kisielowski, Li Yang, C.-H. Park, M.F. Crommie, M.L. Cohen, S.G. Louie, and A. Zettl,“Graphene at the Edge: Stability and Dynamics,” Science 323, 1705 (2009).
443. J. Noffsinger, F. Giustino, S.G. Louie, and M.L. Cohen,“Origin of Superconductivity in Boron-doped Silicon Carbide from First Principles,”Phys. Rev B 79, 104511 (2009).
444. J. Deslippe, M. Dipoppa, D. Prendergast, M.V.O. Moutinho, R.B. Capaz, and S.G. Louie,“Electron-hole Interaction in Carbon Nanotubes: Novel Screening and Exciton Excitation Spectra,” Nano Lett. 9, 1330 (2009).
445. J. Noffsinger, S.G. Louie, F. Giustino, and M.L. Cohen,“Role of Fluorine in the Iron Pnictides: Phonon Softening and Effective Hole Doping,”Phys. Rev. Lett. 102, 147003 (2009).
446. C.D. Spataru, M.S. Hybertsen, S.G. Louie, and A.J. Millis,“GW Approach to Anderson Model out of Equilibrium: Coulomb Blockade and False Hysteresis in the I-V Characteristics,” Phys. Rev. B 79, 155110 (2009)
447. S.Y. Quek, M. Kamenetska, M.L. Steigerwald, H.J. Choi, S.G. Louie, M.S. Hybertsen, J.B. Neaton, and L. Venkataraman,“Mechanically Controlled Binary Conductance Switching of a Single-molecule Junction,” Nature Nanotechnol. 4, 230 (2009).
448. C.-H. Park and S.G. Louie,“Making Massless Dirac Fermions from a Patterned Two-dimensional Electron Gas,” Nano Lett. 9, 1793 (2009).
449. C.-H. Park, Y.-W. Son, L. Yang, M.L. Cohen, and S.G. Louie,“Landau Levels and Quantum Hall Effect in Graphene Superlattices,” Phys. Rev. Lett. 103, 046808 (2009).
450. H.J. Choi, S.G. Louie, and M.L. Cohen,“Prediction of Superconducting Properties of CaB2 Using Anisotropic Eliashberg Theory,” Phys. Rev. B 80, 064503 (2009).
451. H. Lee, J. Ihm, M.L. Cohen, and S.G. Louie,“Calcium-decorated Carbon Nanotubes for High Capacity Hydrogen Storage,” Phys. Rev. B 80, 115412 (2009).
452. L. Yang, J. Deslippe, C.-H. Park, M.L. Cohen, and S.G. Louie,“Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene,”Physical Review Lett. 103, 186802 (2009).
453. S.K. Choi, D.-H. Lee, S.G. Louie, and J. Clarke,“Localization of Metal-Induced Gap States at the Metal-Insulator Interface: Origin of Flux Noise in SQUIDs and Superconducting Qubits,” Phys. Rev. Lett. 103, 197001 (2009).
454. S.Y. Quek, H.J. Choi, S.G. Louie, and J.B. Neaton,“Length Dependence of Conductance in Aromatic Single-Molecule Junctions,” Nano Lett. 9, 3949 (2009).
455. C. Tao, J. Sun, X. Zhang, R. Yamachika, D. Wegner, Y. Bahri, G. Samsonidze, M.L. Cohen, S.G. Louie, T.D. Tilley, R.A. Segalman, and M.F. Crommie,“Spatial Resolution of a Type II Heterojunction in a Single Bipolar Molecule,” Nano Lett. 9, 3963 (2009).
456. C.-H. Park, F. Giustino, C.D. Spataru, M.L. Cohen, and S.G. Louie,“Angle-resolved Photoemission Spectra of Graphene from First-principles,”Nano Lett. 9, 4234 (2009).
457. D. Prendergast and S.G. Louie,“Bloch-state-based Interpolation: An Efficient Generalization of the Shirley Approach to Interpolating Electronic Structure,” Phys. Rev B 80, 235126 (2009).
458. V.W. Brar, S. Wickenburg, M. Panlasigui, C.-H. Park, T.O. Wehling, Y. Zhang, R. Decker, C. Girit, A.V. Balatsky, S.G. Louie, A. Zettl, and M.F. Crommie,“Observation of Carrier-Density-Dependent Many-Body Effects in Graphene via Tunneling Spectroscopy,” Phys. Rev. Lett. 104, 036805 (2010).
459. T.-T. Tang, Y. Zhang, C.-H. Park, B. Geng, C. Girit, Z. Hao, M.C. Martin, A. Zettl, M.F. Crommie, S.G. Louie, Y.R. Shen, and F. Wang,“A Tunable Phonon-Exciton Fano System in Bilayer Graphene,” Nature Nano. 5, 32 (2010).
460. C.-H. Park and S.G. Louie,“Tunable Excitons in Biased Bilayer Graphene,” Nano Lett. 10, 426 (2010).
461. J. L. Janssen, M. Cote, S.G. Louie, and M.L. Cohen,“Electron-Phonon Coupling in C60 Using Hybrid Functionals,” Phys. Rev. B 81, 073106 (2010).
462. F. Giustino, M.L. Cohen, and S.G. Louie,“GW Method with the Self-Consistent Sternheimer Equation,” Phys. Rev. B 81, 115105 (2010).
463. B.D. Malone, S.G. Louie, and M.L. Cohen,“Electronic and Optical Properties of Body-Centered Tetragonal Si and Ge,” Phys. Rev. B 81, 115201 (2010).
464. H.K. Lee, J. Ihm, M.L. Cohen, and S.G. Louie,“Calcium-Decorated Graphene-Based Nanostructures for High-Capacity Hydrogen Storage,”Nano Lett. 10, 793 (2010).
465. M.J. Comstock, D.A. Strubbe, L. Berbil-Bautista, N. Levy, J. Cho, D. Poulsen, J. M. J. Frechet, S.G. Louie, and M.F. Crommie,“Determination of Photoswitching Dynamics through Chiral Mapping of Single Molecules Using a Scanning Tunneling Microscope,” Phys. Rev. Lett. 104, 178301 (2010).
466. O.V. Yazyev and S.G. Louie,“Topological Defects in Graphene: Dislocations and Grain Boundaries,” Phys. Rev. B 81, 195420 (2010).
467. L.Z. Tan, C.-H. Park, and S.G. Louie,“Graphene Dirac Fermions in One-dimensional Inhomogeneous Field Profiles: Transforming Magnetic to Electric Field,” Phys. Rev. B 81, 195426 (2010).
468. Kamenetska, S.Y. Quek, A.C. Whalley, M.L. Steigerwald, H.J. Choi, S.G. Louie, C. Nuckolls, M.S. Hybertsen, J.B. Neaton, and L. Venkataraman,“Conductance and Geometry of Pyridine-linked Single-molecule Junctions,”J. Am. Chem. Soc. 132, 6817 (2010).
469. F.D. Vila, D.A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S.G. Louie, and J.J. Rehr,“Basis Set Effects on the Hyperpolarizability of CHCl3: Gaussian-type Orbitals, Numerical Basis Sets and Real-space Grids,” J. Chem. Phys. 133, 034111 (2010).
470. G.-S. Do, J. Kim, S.-H. Jhi, C.-H. Park, S.G. Louie, and M.L. Cohen,“Ab Initio Calculations of Pressure-induced Structural Phase Transitions of GeTe,” Phys. Rev. B 82, 054121 (2010).
471. B.-C. Shih, Y. Xue, P. Zhang, M.L. Cohen, and S.G. Louie,“Quasiparticle band gap of ZnO: High accuracy from the conventional G0W0 approach,” Phys. Rev. Lett. 105, 146401 (2010).
472. O.V. Yazyev and S.G. Louie,“Electronic Transport in Polycrystalline Graphene,” Nature Mater. 9, 806 (2010).
473. J. Noffsinger, F. Giustino, B.D. Malone, C.-H. Park, S.G. Louie, and M.L. Cohen,“EPW: A program for calculating the electron-phonon coupling using maximally localized Wannier functions,” Comput. Phys. Comm. 181, 2140 (2010).
474. H.K. Lee, M.L. Cohen, and S.G. Louie,“Selective functionalization of halogens on zigzag graphene nanoribbons: A route to the separation of zigzag graphene nanoribbons,” Appl. Phys. Letters 97, 233101 (2010).
475. F. Giustino, S.G. Louie, and M.L. Cohen,“Electron-phonon renormalization of the direct band gap of diamond,” Phys. Rev. Lett. 105, 265501 (2010).
476. B.S. Geng, J. Horng, Y.B. Zhang, T.T. Tang, C.-H. Park, C. Girit, Z. Lao, M. Martin, A. Zettl, M.F. Crommie, S.G. Louie, and F. Wang,“Optical Spectroscopy of Bilayer Graphene,” Physica Stat. Solidi B 247, 2931 (2010).
477. E. Kioupakis, M.L. Tiago, and S.G. Louie,“Quasiparticle Electronic Structure of Bismuth Telluride in the GW Approximation,” Phys. Rev. B 82, 245203 (2010).
478. O.V. Yazyev, J.E. Moore, and S.G. Louie,“Spin Polarization and Transport of Surface States in the Topological Insulators Bi2Se3 and Bi2Te3 from First Principles,” Phys. Rev. Lett. 105, 266806 (2010).
479. V.W. Brar, R. Decker, H.-M. Solowan, Y. Wang, L. Maserati, K.T. Chan, H. Lee, C.O. Girit, A Zettl, S.G. Louie, M.L. Cohen, and M.F. Crommie,“Gate-controlled Ionization and Screening of Cobalt Adatoms on a Graphene Surface,” Nature Physics 7, 43 (2011).
480. C.-H. Park, L.Z. Tan, and S.G. Louie,“Theory of the Electronic and Transport Properties of Graphene Under a Periodic Electric or Magnetic Field,” Physica E 43, 651 (2011).
481. J. Deslippe and S. G. Louie,“Ab initio Theories of the Structural, Electronic, and Optical Properties of Semiconductors: Bulk Systems to Nanostructures,” Chapter in  Comprehensive Semiconductor Science and Technology. Eds. P. Bhattacharya, R. Fornari and H. Kamimura (Amsterm, Elsevier, 2011), p. 42.
482. S.Y. Quek, H.J. Choi, S.G. Louie, and J.B. Neaton,“Thermopower of Amine-Gold-linked Aromatic Molecular Junctions from First Principles,”ACS Nano 5, 551 (2011).
483. Alem, O.V. Yazyev, C. Kisielowski, P. Denes, U. Dahmen, P. Hartel, M. Haider, M. Bischoff, B. Jiang, S.G. Louie, and A. Zettl,“Probing the Out-of-Plane Distortion of Single Point Defects in Atomically Thin Hexagonal Boron Nitride at the Picometer Scale,” Phys. Rev. Lett. 106, 126102 (2011).
484. C.-F. Chen, C.-H. Park, B.W. Boudouris, J. Horng, B. Geng, C. Girit, A. Zettl, M.F. Crommie, R.A. Segalman, S.G. Louie, and F. Wang,“Controlling Inelastic Light Scattering Quantum Pathways in Graphene,” Nature 471, 617 (2011).
485. H. Oh, H.J. Choi, S.G. Louie, and M.L. Cohen,“Fermi Surfaces and Quantum Oscillations in the Underdoped High-Tc Superconductors YBa2Cu3O6.5 and YBa2Cu4O8,” Phys. Rev. B 84, 014518(2011).
486. D.A. Siegel, C.-H. Park, C. Hwang, J. Deslippe, A.V. Federov, S.G. Louie, and A. Lanzara,“Many-body Interactions in Quasi-freestanding Graphene,” Proc. Natl. Acad. Sci. U.S.A. 10811365 (2011).
487. L.Z. Tan, C.-H. Park, and S.G. Louie,“New Dirac Fermions in Periodically Modulated Bilayer Graphene,” Nano Lett. 112596 (2011).
488. C. Tao, L. Jiao, O.V. Yazyev, Y.-C. Chen, J. Feng, X. Zhang, R.B. Capaz, J.M. Tour, A. Zettl, S.G. Louie, H. Dai, and M.F. Crommie,“Spatially Resolving Edge States of Chiral Graphene Nanoribbons,” Nature Physics 7, 616 (2011).
489. H.C. Hsueh, G.Y. Guo, and S.G. Louie,“Excitonic Effects in the Optical Properties of an SiC Sheet and Nanotubes,” Phys. Rev. B 84, 85404 (2011).
490. G.P. Zhang, D.A. Strubbe, S.G. Louie, and T.F. George,“First-principles Prediction of Optical Second-order Harmonic Generation in the Endohedral N@C60 Compound,” Phys. Rev. A 84, 023837 (2011).
491. S. Blackburn, M. Cote, S.G. Louie, and M.L. Cohen,“Enhanced Electron-phonon Coupling Near the Lattice Instability of Superconducting NbC1-xNx from Density-Functional Calculations,” Phys. Rev. B 84, 104506 (2011).
492. C. Hwang, C.-H. Park, D.A. Siegel, A.V. Fedorov, S.G. Louie, and A. Lanzara,“Direct Measurement of Quantum Phases in Graphene via Photoemission Spectroscopy,” Phys. Rev. B 84, 125422 (2011).
493. O.V. Yazyev, R.B. Capaz, S.G. Louie,“Theory of Magnetic Edge States in Chiral Graphene Nanoribbons,” Phys. Rev. B 84, 115406 (2011).
494. G. Samsonidze, M. Jain, J. Deslippe, M.L. Cohen, and S.G. Louie,“Simple Approximate Physical Orbitals for GW Quasiparticle Calculations, “Phys. Rev. Lett 107, 186404 (2011).
495. G. Samsonidze, M.L. Cohen, and S.G. Louie,“Compensation-doped Silicon for Photovoltaic Applications,”Phys. Rev. B 84, 195201 (2011).
496. M. Jain, J.R. Chelikowsky, and S.G. Louie,“Quasiparticle Excitations and Charge Transition Levels of Oxygen Vacancies in Hafnia,”Phys. Rev. Lett. 107, 216803 (2011).
497. M. Jain, J.R. Chelikowsky, and S.G. Louie,“Reliability of Hybrid Functionals in Predicting Band Gaps,”Phys. Rev. Lett. 107, 216806 (2011).
498. O.V. Yazyev, R.B. Capaz, and S.G. Louie,“One-dimensional Structural Irregularities in Graphene Chiral Edges and Grain Boundaries,”J. Physics: Conference Series 302, 012016 (2011).
499. C.-H. Park, F. Giustino, C.D. Spataru, M.L. Cohen, and S.G. Louie,“Inelastic Carrier Lifetime in Bilayer Graphene,”Appl. Phys. Lett. 100, 032106 (2012).
500. D.A. Strubbe, L. Lehtovaara, A. Rubio, M.A.L. Marques, and S.G. Louie,“Response Functions in TDDFT: Concepts and Implementation,”in Fundamentals of Time-Dependent Density Functional Theory (LNP 837); eds. M.A.L. Marques, N.T. Maitra, F.M.S. Nogueira, E.K.U. Gross, A. Rubio (Springer, Heidelberg, 2012).
501. O.V. Yazyev, E. Kioupakis, J.E. Moore, and S.G. Louie,“Quasiparticle Effects in the Bulk and Surface-state Bands of Bi2Se3 and Bi2Te3 Topological Insulators,”Phys. Rev. B 85, 161101 (2012).
502. J. Noffsinger, E. Kioupakis, C.G. Van de Walle, S.G. Louie, and M.L. Cohen,“Phonon-assisted Optical Absorption in Silicon from First Principles,”Phys. Rev. Lett. 108, 167402 (2012).
503. K. Liu, J. Deslippe, F. Xiao, R.B. Capaz, X. Hong, S. Aloni, A. Zettl, W. Wang, X. Bai, S.G. Louie, E. Wang, and F. Wang,“An Atlas of Carbon Nanotube Optical Transitions,”Nature Nanotech. 7, 325 (2012).
504. J. Deslippe, G. Samsonidze, D.A. Strubbe, M. Jain, M.L. Cohen, and S.G. Louie,“BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures,”Comp. Phys. Comm. 183, 1269 (2012).
505. K. Kim, S. Coh, L.Z. Tan, W. Regan, J.M. Yuk, E. Chatterjee, M.F. Crommie, M.L. Cohen, S.G. Louie, and A. Zettl,“Raman Spectroscopy Study of Rotated Double-layer Graphene: Misorientation-angle Dependence of Electronic Structure,”Phys. Rev. Lett. 108, 246103 (2012).
506. M. Orlita, L.Z. Tan, M. Potemski, M. Sprinkle, C. Berger, W.A. de Heer, S.G. Louie, and G. Martinez,“Resonant Excitation of Graphene K-Phonon and Intra-Laudau-Level Excitons in Magneto-Optical Spectroscopy,”Phys. Rev. Lett. 108, 247401 (2012).
507. X. Andrade, J. Alberdi-Rodriguez, D.A. Strubbe, M.J.T. Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S.G. Louie, A. Aspuru-Guzik, A. Rubio, and M.A.L. Marques,“Time-dependent Density-functional Theory in Massively Parallel Computer Architectures: the OCTOPUS Project,”J. Phys. Cond. Mat 24, 233202 (2012).
508. J. Lischner, J. Deslippe, M. Jain, and S.G. Louie,“First-principles Calculations of Quasiparticle Excitations of Open-shell Condensed Matter Systems,”Phys. Rev. Lett. 109, 036406 (2012).
509. S.K. Choi, M. Jain, and S.G. Louie,“Mechanism for Optical Initialization of Spin in Center in Diamond,”Phys. Rev. B 86, 041202 (2012).
510. L. Song, L. Balicas, D.J. Mowbray, R.B. Capaz, K. Storr, L. Ci, D. Jariwala, S. Kurth, S.G. Louie, A. Rubio, and P.M. Ajayan,“Anomalous Insulator-metal Transition in Boron Nitride-graphene Hybrid Atomic Layers,”Phys. Rev. B 86, 075429 (2012).
511. C.-H. Park and S.G. Louie,“Spin Polarization of Photoelectrons from Topological Insulators,”Phys. Rev. Lett. 109, 097601 (2012).
512. N. Alem, Q.M. Ramasse, C.R. Seabourne, O.V. Yazyev, K. Erickson, M.C. Sarahan, C. Kisielowski, A.J. Scott, S.G. Louie, and A. Zettl,“Subangstrom Edge Relaxations Probed by Electron Microscopy in Hexagonal Boron Nitride,”Phys. Rev. Lett. 109, 205502 (2012).
513. S.K. Choi, J. Deslippe, R.B. Capaz, and S.G. Louie,“An Explicit Formula for Optical Oscillator Strength of Excitons in Semiconducting Single-Walled Carbon Nanotubes: Family Behavior,”Nano Lett. 13, 54 (2013).
514. X. Zhang, O.V. Yazyev, J. Feng, L. Xie, C. Tao, Y-C Chen, L. Jiao, Z. Pedramrazi, A. Z, S.G. Louie, H. Dai, and M.F. Crommie,“Experimentally Engineering the Edge Termination of Graphene Nanoribbons,”ACS Nano 7, 198 (2013).
515. J. Lischner, D. Vigil-Fowler, and S. G. Louie,“Physical Origin of Satellites in Photoemission of Doped Graphene: An ab initio GW plus Cumulant Study,”Phys. Rev. Lett. 110, 146801 (2013).
516. J. Deslippe, G. Samsonidze, M. Jain, M.L. Cohen, and S.G. Louie,“Coulomb-hole Summations and Energies for GW Calculations with Limited Number of Empty Orbitals: A Modified Static Remainder Approach,”Phys. Rev. B 87, 165124 (2013).
517. S. Coh, W. Gannett, A Zettl, M.L. Cohen, and S.G. Louie,“Surface Atom Motion to Move Iron Nanocrystals through Constrictions in Carbon Nanotubes under the Action of an Electric Current,”Phys. Rev. Lett. 110, 185901 (2013).
518. C. Jozwiak, C-H. Park, K. Gotlieb, C. Hwang, D-H. Lee, S.G. Louie, J.D. Denlinger, C.R. Rotundu, R.J. Birgeneau, Z. Hussain, and A. Lanzara,“Photoelectron Spin-flipping and Texture Manipulation in a Topological Insulator,”Nature Phys. 9, 293 (2013).
519. Y. Wang, D. Wong, A.V. Shytov, V.W. Brar, S. Choi, Q. Wu, H-Z Tsai, W. Regan, A. Zettl, R.K. Kawakami, S.G. Louie, L.S. Levitov, and M.F. Crommie,“Observing Atomic Collapse Resonances in Artificial Nuclei on Graphene,”Science 340, 734 (2013).
520. S. Coh, S.G. Louie, and M.L. Cohen,“Theoretical Study of Solid Iron Nanocrystal Movement Inside a Carbon Nanotube,”Phys. Rev. B 88, 045424 (2013).
521. S. Coh, L.Z. Tan, S.G. Louie, and M.L. Cohen,“Theory of the Raman Spectrum of Rotated Double-layer Graphene,”Phys. Rev. B 88, 165431 (2013).
522. K. Kim, S. Coh, C. Kisielowski, M.F. Crommie, S.G. Louie, M.L. Cohen, and A. Zettl,“Atomically Perfect Torn Graphene Edges and Their Reversible Reconstruction,”Nature Comm. 4, 2723 (2013).
523. D.Y. Qiu, F.H. da Jornada, and S.G. Louie,“Optical Spectrum of MoS2: Many-body Effects and Diversity of Exciton States,”Phys. Rev. Lett. 111, 216805 (2013).[Erratum:Phys. Rev. Lett., 115, 119901 (2015)].
524. H-C. Hsueh, G.Y. Guo, and S.G. Louie,“Electron and Optical Properties of Silicon Carbide Nanostructures,”Chapter 7 in Silicon-based Nanomaterials, Springer Series in Materials Science 187(eds. H. Li, J. Wu, Z.M. Wang) (2013).
525. Y. Sakai, G.D. Nguyen, R.B. Capaz, S. Coh, I.V. Pechenezhskiy, X.P. Hong, F. Wang, M.F. Crommie, S. Saito, S.G. Louie, and M.L. Cohen,“Intermolecular Interactions and Substrate Effects for an Adamantine Monolayer on a Au(111) surface,”Phys. Rev. B 88, 235407 (2013).
526. T. Bazhirov, S. Coh, S.G. Louie, and M.L. Cohen,“Importance of Oxygen Octahedra Tilts for the Electron-phonon Coupling in K-doped BaBiO3,”Phys. Rev. B 88, 224509 (2013).
527. Zhou, S. Coh, M.L. Cohen, S.G. Louie, and A. Zettl,“Imprint of Transition Metal d Orbitals on a Graphene Dirac Cone,”Phys. Rev. B 88,235431 (2013).
528. S.Y. Wang, W.H. Wang, L.Z. Tan, X.G. Li, Z.L. Shi, G.W. Kuang, P.N. Liu, S.G. Louie, and N. Lin,“Tuning Two-dimensional Band Structure of Cu(111) Surface-state Electrons That Interplay with Artificial Supramolecular Architectures,”Phys. Rev. B 88, 245430 (2013).
529. M.G. Menezes, R.B. Capaz, and S.G. Louie,“Ab Initio Quasiparticle Band Structure of ABA- and ABC-stacked Graphene Trilayers,”Phys. Rev. B 89, 035431 (2014).
530. Malashevich, M. Jain, and S.G. Louie,“First-principles DFT+GW Study of Oxygen Vacancies in Rutile TiO2,”Phys. Rev. B 89, 075205 (2014).
531. J. Lischner, T. Bazhirov, A.H. MacDonald, M.L. Cohen, and S.G. Louie,” Effect of Spin Fluctuations on Quasiparticle Excitations: First-principles Theory and Application to Sodium and Lithium, “Phys. Rev. B 89, 081108(R) (2014).
532. J.-H. Chen, G. Autes, N. Alem, F. Gargiulo, A. Gautam, M. Linck, C. Kisielowski, O.V. Yazyev, S.G. Louie, and A. Zettl,” Controlled Growth of a Line Defect in Graphene and Implications for Gate-tunable Valley Filtering, “Phys. Rev. B 89, 121407 (2014).
533. J. Lischner, D. Vigil-Fowler, and S.G. Louie,” Satellite Structures in the Spectral Functions of the Two-dimensional Electron Gas in Semiconductor Quantum Wells: A GW Plus Cumulant Study, “Phys. Rev. B 89, 125430 (2014).
534. Riss, S. Wickenburg, P. Gorman, L.Z. Tan, H.-Z. Tsai, D.G. de Oteyza, Y.-C. Chen, A.J. Bradley, M.M. Ugeda, G. Etkin, S.G. Louie, F.R. Fischer, and M.F. Crommie,” Local Electronic and Chemical Structure of Oligo-acetylene Derivatives Formed Through Radical Cyclizations at a Surface, “Nano Lett.14, 2251 (2014).
535. K. F. Mak, F. H. da Jornada, K.L. He, J. Deslippe, N. Petrone, J. Hone, J. Shan, S. G. Louie, and T. F. Heinz,” Tuning Many-body Interactions in Graphene: The Effects of Doping on Excitons and Quasiparticle Lifetimes, “Phys. Rev. Lett. 112, 207401 (2014).
536. K.H. Liu, X.P. Hong, S.K. Choi, C.H. Jin, R.B. Capaz, J. Kim, W.L. Wang, X.D. Bai, S.G. Louie, E.G. Wang, and F. Wang,” Systematic Determination of Absolute Absorption Cross-section of Individual Carbon Nanotubes, “Proc. National Academy of Sciences 111, 7564 (2014).
537. Riss, S. Wickenburg, L.Z. Tan, H.-Z. Tsai, Y. Kim, J. Lu, A.J. Bradley, M.M. Ugeda, K.L. Meaker, K. Watanabe, T. Taniguchi, A. Zettl, F.R. Fischer, S.G. Louie, and M.F. Crommie,” Imaging and Tuning Molecular Levels at the Surface of a Gated Graphene Device, “ACS Nano 8, 5395 (2014).
538. M. Bernardi, D. Vigil-Fowler, J. Lischner, J.B. Neaton, and S.G. Louie,” Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon, “Phys. Rev. Lett.112, 257402 (2014).
539. S.K. Choi, C.-H. Park, and S.G. Louie,” Electron Supercollimation in Graphene and Dirac Fermion Materials Using One-dimensional Disorder Potentials, “Phys. Rev. Lett.113, 026802 (2014).
540. G. Samsonidze, F.J. Ribeiro, M.L. Cohen, and S.G. Louie,” Quasiparticle and Optical Properties of Polythiophene-derived Polymers, “Phys. Rev. B 90, 035123 (2014).
541. J.I. Mustafa, B.D. Malone, M.L. Cohen, and S.G. Louie,” Band Offsets in c-Si/Si-XII Heterojunctions, “Solid State Comm. 191, 6 (2014).
542. G. Samsonidze, M.L. Cohen, and S.G. Louie,” First-principles Study of Quasiparticle Energies of a Bipolar Molecule in a Scanning Tunneling Microscope Measurement, “Comp. Mat. Sci. 91, 187 (2014).
543. K.H. Liu, L.M. Zhang, T. Cao, C.H. Jin, D.Y. Qiu, Q. Zhou, A. Zettl, P.D. Yang, S.G. Louie, and F. Wang,” Evolution of Interlayer Coupling in Twisted MoS2 Bilayers, “Nature Communications 5, 4966 (2014).
544. Z.L. Ye, T. Cao, K. O’Brien, H.Y. Zhu, X.B. Yin, Y. Wang, S.G. Louie, and X. Zhang,” Probing Excitonic Dark States in Single-layer Tungsten Disulphide, “Nature 513, 214 (2014).
545. J. Lischner, S. Sharifzadeh, J. Deslippe, J.B. Neaton, and S.G. Louie,” Effects of Self-consistency and Plasmon-pole Models on GW Calculations for Closed-shell Molecules, “Phys. Rev. B 90, 115130 (2014).
546. M. Jain, J. Deslippe, G. Samsonidze, M.L. Cohen, J.R. Chelikowsky, and S.G. Louie,” Improved Quasiparticle Wave Functions and Mean Field for G0W0 calculations: Initialization with COHSEX Operator, “Phys. Rev. B 90, 115148 (2014).
547. M. Kapilashrami, G. Conti, I. Zegkinoglou, S. Nemsak, C.S. Conlon, T. Torndahl, V. Fjallstrom, J. Lischner, S.G. Louie, R.J. Hamers, L. Zhang, J.H. Guo, C.S. Fadley, and F.J. Himpsel,” Boron Doped Diamond Films as Electron Donors in Photovoltaics: An X-ray Absorption and Hard X-ray Photoemission Study, “Appl. Phys. 116, 143702 (2014).
548. L.M. Zhang, K.H. Liu, A.B. Wong, J. Kim, X.P. Hong, C. Liu, T. Cao, S.G. Louie, F. Wang, and P.D. Yang,” Three-dimensional Spirals of Atomic Layered MoS2, “Nano Lett. 14, 6418 (2014).
549. S.Y. Wang, L.Z. Tan, W.H. Wang, S.G. Louie, and N. Lin,” Manipulation and Characterization of Aperiodical Graphene Structures Created in a Two-dimensional Electron Gas, “Phys. Rev. Lett. 113, 196803 (2014).
550. M.M. Ugeda, A.J. Bradley, S-F. Shi, F.H. da Jornada, Y. Zhang, D.Y. Qiu, W. Ruan, S.-K. Mo, Z. Hussain, Z-X. Shen, F. Wang, S.G. Louie, and M.F. Crommie,” Giant Bandgap Renormalization and Excitonic Effects in a Monolayer Transition Metal Dichalcogenide Semiconductor, “Nature Mat. 13, 1091 (2014).
551. J. Lischner, T. Bazhirov, A.H. MacDonald, M.L. Cohen, and S.G. Louie,” First-principles theory of electron-spin fluctuation coupling and superconducting instabilities in iron selenide, “Phys. Rev. B 91, 020502(R) (2015).
552. Y.-C. Chen, T. Cao, C. Chen, Z. Pedramrazi, D. Haberer, D.G. de Oteyza, F.R. Fischer, S.G. Louie and M.F. Crommie,” Molecular bandgap engineering of bottom-up synthesized graphene nanoribbon heterojunctions, “Nature Nanotech. 10, 156 (2015).
553. F. Liu, L. Lin, D. Vigil-Fowler, J. Lischner, A. Kemper, S. Sharifzadeh, F. H. da Jornada, J. Deslippe, C. Yang, J. Neaton, S. G. Louie,” Numerical Integration for Ab Initio Many-electron Self Energy Calculation within the GW Formalism, “J. of Comp. Phys. 286, 1 (2015).
554. A.J. Bradley, M.M. Ugeda, F.H. da Jornada, D.Y. Qiu, W. Ruan, Y. Zhang, S. Wickenburg, A. Riss, J. Lu, S.K. Mo, Z. Hussain, Z.X. Shen, S.G. Louie, and M. Crommie,” Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures, “Nano Lett. 15, 2594 (2015).
555. M. Bernardi, D. Vigil-Fowler, C.S. Ong, J. Neaton, and S.G. Louie,” Ab initio study of hot electrons in GaAs, “Proc. of Nat. Acad. of Sciences 112, 5291 (2015).
556. J. Lischner, G.K. Palsson, D. Vigil-Fowler, S. Nemsak, J.Avila, M.C. Asensio, C.S. Fadley, and S.G. Louie,” Satellite band structure in silicon caused by electron-plasmon coupling, “Phys. Rev. B 91 , 205113 (2015).
557. M. Bernardi, J. Mustafa, J.B. Neaton, and S.G. Louie,” Theory and Computation of Hot Carriers Generated by Surface Plasmon Polaritons in Noble Metals, “Nature Comm. 6, 7044 (2015).
558. T. Cao, Z. Li, and S.G. Louie,” Tunable Magnetism and Half-Metailicity in Hole-Doped Monolayer GsSe, “Phys. Rev. Lett. 114, 236602 (2015).
559. L. Tan, M. Orlita, M. Potemski, J. Palmer, C. Berger, W.A. de Heer, S.G. Louie and G. Martinez,” SU(4) Symmetry Breaking Revealed by Magneto-optical Spectroscopy in Epitaxial Graphene, “Phys. Rev. B 91, 235122 (2015).
560. R.R. Cloke, T. Marangoni, G.D. Nguyen, T. Joshi, D.J. Rizzo, C. Bronner, T. Cao, S.G. Louie, M. Crommie, and F.R. Fischer, “Site-Specific Substitutional Boron Doping of Semiconducting Armchair Graphene Nanoribbons” J. Amer. Chem. Soc. 137, 8872 (2015).
561. S. Coh, M.L. Cohen, and S.G. Louie,” Large Electron-phonon interactions from FeSe Phonons in a Monolayer, “New J. Phys. 17, 073027 (2015).
562. D.Y. Qiu, T. Cao, and S.G. Louie,” Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations, “Phys. Rev. Lett. 115, 176801 (2015).
563. J.I. Mustafa, S. Coh, ML. Cohen, and S.G. Louie,” Automated Construction of Maximally Localized Wannier Funtions: Optimized Projection Functions Method, “Phys. Rev. B 92, 165134 (2015).
564. M. J. van Setten, F. Carouso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J. Deslippe, S. G. Louie, C. Yang, F. Weigend, J. Neaton, F. Evers, and P. Rinke,” GW 100: Benchmarking G0W0 for molecular systems, “J. Chem. Theory Comput. 11, 5665 (2015).
565. G. R. Bhimanapati, Z. Lin, V. Meunier, Y. E. Jung, J. Cha, S. Das, D. Xiao, Y.-W. Son, M. S. Strano, V. Cooper, L. Liang, S. G. Louie, E. Ringe, W. Zhou, B. G. Sumpter, H. Terrones, F. Xia, Y. Wang, J. Zhu, D. Akinwande, N. Alem, J. Schuller, R. E. Schaak, M. Terrones, and J. A. Robinson,” Recent Advances in Two-Dimensional Materials Beyond Graphene,”ACS Nano 9, 11509 (2015).
566. H. Z. Tai, A. A. Omrani, S. Coh, H. Oh, S. Wickenburg, Y. W. Son, D. Wong, A. Riss, H. S. Jung, G. D. Nguyen, G. F. Rodgers, A. S. Aikawa, T. Taniguchi, K. Watanabe, A. Zettl, S. G. Louie, J. Lu, M. L. Cohen, and M. F. Crommie,” Molecular Self-Assembly in a Poorly Screened Environment: F4TCNQ on Graphene/BN, “ACS Nano 9, 12168 (2015).
567. C. T. Chan, A. Fang, Z. Q. Zhang, and S. G. Louie,” Novel Transport Properties of Pseudospin-1 Photons. “SPIE Newsroom (2015).
568. M. Y. Shao, F. H. da Jornada, C. Yang, J. Deslippe, and S.G. Louie,” Structure Preserving Parallel Algorithms for Solving the Bethe-Salpeter Eigenvalue Problem, “Linear Algebra and its Applications 488, 148 (2015).
569. A.Fang, Z. Q. Zhang, S. G. Louie and C. T. Chan,” Klein Tunneling and Supercollimation of Pseudospin-1 Electromagnetic Waves, “Phys. Rev. B 93, 035422 (2016).
570. G. D. Nguyen, F. M. Tom, T. Cao, Z. Pedramrazi, C. Chen, D. J. Rizzo, T. Joshi, C. Bronner, Y. C. Chen, M. Favaro, S. G. Louie, F. R. Fischer, and M. F. Crommie,” Bottom-up Synthesis of N=13 Sulfer-Doped Graphene Nanoribbons, “J. Phys. Chem. C 120, 2684 (2016).
571. J. Lischner, S. Nemsak, G. Conti, A. Gloskovskii, G. K. Páson, C. M. Schneider, W. Drube, S. G. Louie, and C. Fadley,” Accurate Determination of the Balence Band Edge in Hard X-ray Photoemission Spectra Using GW Theory, “J. Appl. Phys. 119, 165703 (2016).
572. J. McClain, J. Lischner, T. Watson, D. A. Matthews, E. Ronca, S. G. Louie, T. C. Berkelbach, and G. K.-L. Chan,” Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the GW and Related Approximations, “Phys. Rev. B 93, 235139 (2016).
573. D. Y. Qiu, F. H. da Jornada, and S. G. Louie,“Screening and Many-body Effects in Two-Dimensional Crystals: Monolayer MoS2,”Phys. Rev. B 93, 235435 (2016).
574. D. Vigil-Fowler, S. G. Louie, and J. Lischner,“Dispersion and Line Shape of Plasmon Satellites in One, Two, and Three dimensions,”Phys. Rev. B 93, 235446 (2016).
575. S. Coh, D.-H. Lee, S. G. Louie, and M. L. Cohen,” Proposal for a Bulk Material Based on a Monolayer FeSe on SrTiO3 High-Temperature Superconductor, “Phys. Rev. B 93, 245138 (2016).
576. M. Y. Shao, L. Lin, C. Yang, F. Liu, F. H. Da Jornada, J. Deslippe, and S. G. Louie,” Low Rank Approximation in G0W0 Calculations, “Sci. China Math. 59, 1593 (2016).
577. L. Hung, F. H. da Jornada, J. Souto-Casares, J. R. Chelikowsky, S. G. Louie, and S. Ogut,” Excitation Spectra of Aromatic Molecules within a Real-Space GW-BSE Formalism: Role of Self-Consistency and Vertex Corrections, “Phys. Rev. B 94, 085125 (2016).
578. T. Cao, Z. L. Li, D. Y. Qiu, and S. G. Louie,” Gate Switchable Transport and Optical Anisotropy in 90 {degree} Twisted Bilayer Black Phosphorus, “Nano Lett. 16, 5542 (2016).
579. S. Coh, M. L. Cohen, and S. G. Louie,” Antiferromagnetism enables electron-phonon coupling in iron-based superconductors, “Phys. Rev. B 94, 104505 (2016).
580. J. I. Mustafa, S. Coh, M. L. Cohen, and S. G. Louie,” Automated construction of maximally localized Wannier functions for bands with nontrivial topology,”Phys. Rev. B 94, 125151 (2016).
581. J. I. Mustafa, M. Bernardi, J. B. Neaton, and S. G. Louie, “Ab initio electronic relaxation times and transport in noble metals, “Phys. Rev. B 94, 155105 (2016).
582. J. Li, Z. Tan, K. Zou, A. A. Stabile, D. J. Seiwell, K. Watanabe, T. Taniguchi, S. G. Louie, and J. Zhu,” Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction, “Phys. Rev. B 94, 161406 (2016).
583. T. Pham, A. L. Gibb, Z. L. Li, S. M. Gilbert, C. Y. Song, S. G. Louie, and A. Zettl,” Formation and Dynamics of Electron-Irradiation-Induced Defects in Hexagonal Boron Nitride at Elevated Temperatures, “Nano Lett. 16, 7142 (2016).
584. H. R. Barzegar, A. Yan, S. Coh, E. Gracia-Espino, G. Dunn, T. Wagberg, S. G. Louie, M. L. Cohen, and A. Zettl,” Electrostatically Driven Nanoballoon Actuator, “Nano Lett. 16, 6787 (2016).
585. S. Wickenburg, J. Lu, J. Lischner, H. Z. Tsai, A. A. Omrani, A. Riss, C. Karrasch, A. Bradley, H. S. Jung, R. Khajeh, D. Wong, K. Watanabe, T. Taniguchi, A. Zettl, A. H. C. Neto, S. G. Louie, and M. F. Crommie,” Tuning charge and correlation effects for a single molecule on a graphene device, “Nat. Comm. 7, 13553 (2016).
586. G. Antonius, and S. G. Louie,” Temperature-Induced Topological Phase Transitions: Promoted versus Suppressed Nontrivial Topology,”Phys. Rev. Lett. 24, 246401 (2016).
587. J. Deslippe, F. da Jornada, D. Vigil-Fowler, T. Barnes, N. Wichmann, K. Raman, R. Sasanka, and S. G. Louie,” Optimizing excited-state electronic-structure codes for Intel Knights Landing: A case study on the BerkeleyGW software, “in International Conference on High Performance Computing, pp. 402-414. Springer International Publishing, (2016).
588. L. Li, J. Kim, C. Jin, G. Ye, D.Y. Qiu, F. H. da Jornada, Z. Shi, L. Chen, Z. Zhang, F. Yang, K. Watanabe, T. Taniguchi, W. Ren, S. G. Louie, X. Chen, Y. Zhang, and F. Wang,” Direct Observation of Layer-Dependent Electronic Structure in Phosphorene, “Nat. Nanotechnol. 12, 21 (2017).
589. F. H. Jornada, D. Y. Qiu, and S. G. Louie,” Non-uniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality, “Phys. Rev. B 95, 035109 (2017).
590. T. Helm, F. Flicker, R. Kealhofer, P. J. W. Moll, I. M. Hayes, N. P. Breznay, Z. Li, S. G. Louie, Q. R. Zhang, L. Balicas, J. E. Moore, and J. G. Analytis,” Thermodynamic anomaly above the superconducting critical temperature in the quasi-one-dimensional superconductor Ta4Pd3Te16, “Phys. Rev. B 95, 075121 (2017).
591. S. Coh, P. Y. Yu, Y. Aoki, S. Saito, S. G. Louie, and M. L. Cohen,” Alternative structure of TiO2 with higher energy valence band edge, “Phys. Rev. B 95, 085422 (2017).
592. K. Hippalgaonkar, Y. Wang, Y. Ye, D. Y. Qiu, H. Zhu, Y. Wang, J. Moore, S. G. Louie, and X. Zhang,” High thermoelectric power factor in two-dimensional crystals of MoS2, “Phys. Rev. B 95, 115407 (2017).
593. Z. Li, T. Cao, M. Wu, and S. G. Louie,” Generation of Anisotropic Massless Dirac Fermions and Asymmetric Klein Tunneling in Few-Layer Black Phosphorous Superlattices, “Nano Lett. 17, 2280 (2017).
594. A. Fang, Z. Q. Zhang, S. G. Louie, and C. T. Chan,“Anomalous Anderson localization behaviors in disordered pseudospin systems,”Proc. of Nat. Acad. of Sciences 16, 4087 (2017).
595. H. S. Sen, L. D. Xian, F. H. da Jornada, S. G. Louie, A. Rubio,” Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures, “Israel Journal of Chem. 57, 540 (2017).
596. H. R. Barzegar, A. Yan, S. Coh, E. Gracia-Espino, C. Ojeda-Aristizabal, G. Dunn, M. L. Cohen, S. G. Louie, T. Wagberg, and A. Zettl,” Spontaneous twisting of a collapsed carbon nanotube, “Nano Res. 10, 1942 (2017).
597. C. Gong, L. Li, Z. Li, H. Ji, A. Stern, Y. Xia, T. Cao, W. Bao, C. Wang, Y. Wang, Z. Q. Qiu, R. J. Cava, S. G. Louie, J. Xia, and X. Zhang” Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals, “Nature 546, 265 (2017).
598. K. Gotlieb, Z. L. Li, C. Y. Lin, C. Jozwiak, J. H. Ryoo, C. H. Park, Z. Hussain, S. G. Louie, A. Lanzara” Symmetry rules shaping spin-orbital textures in surface states, “Phye. Rev. B 95, 245142 (2017).
599. D. Y. Qiu, F. H. da Jornada, S. G. Louie” Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra, of Few-Layer Black Phosphorus, “Nano Lett. 17, 4706 (2017).
600. T. Cao, F. Zhao, S. G. Louie,” Topological Phases in Graphene Nanoribbons: Junction States, Spin Centers, and Quantum Spin Chains, “Phys. Rev. Lett. 119, 076401 (2017).
601. X. X. Zhang, T. Cao, Z. G. Lu, Y. C. Lin, F. Zhang, Y. Wang, Z. Q. Li, J. C. Hone, J. A. Robinson, D. Smirnov, S. G. Louie, T. F. Heinz,” Magnetic brightening and control of dark excitons in monolayer WSe2, “Nat. Nanotechnol. 12, 9 (2017).
602. A. M. Yan, C. S. Ong, D. Y. Qiu, C. Ophus, J. Ciston, C. Merino, S. G. Louie, A. Zettl,” Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2, “Journal of Phys. Chem. C, 121, 22559 (2017).
603. M. Sakurai, J. R. Chelikowsky, S. G. Louie, and S. Saito, “Quasiparticle energies and dielectric functions of diamond polytypes,” Phys. Rev. Mat. 1, 054603 (2017).
604. G. D. Nguyen, H. Z. Tsai, A. A. Omrani, T. Marangoni, M. Wu, D. J. Rizzo, G. F. Rodgers, R. R. Cloke, R. A. Durr, Y. Sakai, F. Liou, A. S. Aikawa, J. R. Chelikowsky, S. G. Louie, F. R. Fischer, M. F. Crommie, “Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor, “Nat. Nanotechnol. 12, 1077 (2017).
605. L. Ju, L. Wang, T. Cao, T. Taniguchi, K. Watanabe, S. G. Louie, F. Rana, J.-W. Park, J. Hone, F. Wang, and P. L. McEuen, “Tunable excitons in bilayer graphene,” Science 358, 907 (2017).
606. S. Refaely-Abramson, F. H. da Jornada, S. G. Louie, J. B. Neaton, “Origins of Singlet Fission in Solid Pentacene from an ab initio Green’s Function Approach,” Phys. Rev. Lett. 119, 26 (2017).
607. C. S. Ong, S. Coh, M. L. Cohen, and S. G. Louie, “Real-space study of the optical absorption in alternative phases of silicon,” Phys. Rev. Mat. 1, 075408 (2017).
608. J. Deslippe, F. H. da Jornada, D. Vigil-Fowler, T. Barnes, T. Kurth, and S. G. Louie, “Preparing an Excited-State Materials Application for Exascale,” Published in “Exascale Scientific Applications: Programming Approaches for Scalability, Performance, and Portability,” Chapman and Hall/CRC, (2017).
609.  T. Rangel, A. Rinn, S. Sharifzadeh, F. H. da Jornada, A. Pick, S. G. Louie, G. Witte, L. Kronik, J. B. Neaton, and S. Chatterjee, “Low-lying excited states in crystalline perylene,” Proceedings of the National Academy of Sciences of the United States of America 115, 284 (2018).
610. W. Hu, M. Shao, A. Cepellotti, F. H. da Jornada, L. Lin, K. Thicke, C. Yang, and S. G. Louie, “Accelerating Optical Absorption Spectra and Exciton Energy Computation via Interpolative Separable Density Fitting,” in Y. Shi et al (eds) Computational Science – ICCS 2018. ICCS 2018. Lecture Notes in Computer Science, vol 10861. Springer, Cham. (2018).
611. R. A. Durr, D. Haberer, Y. L. Lee, R. Blackwell, A. M. Kalayjian, T. Marangoni, J. Ihm, S. G. Louie, and F. R. Fischer, “Orbitally Matched Edge-Doping in Graphene Nanoribbons,” J. of the Amer. Chem. Soc. 140, 807 (2018).
612. T. Cao, M. Wu, and S. G. Louie, “Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers,” Phys. Rev. Lett. 120, 087402 (2018).
613. G. Antonius, D. Y. Qiu, and S. G. Louie, “Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides,” Nano Lett. 18, 1925 (2018).
614. C. Bronner, R. A. Durr, D. J. Rizzo, Y. L. Lee, T. Marangoni, A. M. Kalayjian, H. Rodriguez, W. Zhao, S. G. Louie, F. R. Fischer, and M. F. Crommie, “Hierarchical On-Surface Synthesis of Graphene Nanoribbon Heterojunctions,” ACS Nano 12, 2193 (2018).
615. Y. Li, T. M. Wang, M. Wu, T. Cao, Y. W. Chen, R. Sankar, R. K. Ulaganahan, F. C. Chou, C. Wetzel, C. Y. Xu, S. G. Louie, and S. F. Shi, “Ultrasensitive tenability of the direct bandgap of 2D InSe flakes via strain engineering,” 2D Mat. 5, 021002 (2018).
616. M. Y. Shao, F. H. da Jornada, L. Lin, C. Yang, J. Deslippe, and S. G. Louie, “A structure preserving Lanczos algorithm for computing the optical absorption spectrum,” SIAM J. Matrix Anal. and Appl., SIAM J. Matrix Anal. & Appl. 39-2, 683 (2018).
617. K. Frohna, T. Deshpande, J. Harter, W. Peng, B. A. Barker, J. B. Neaton, S. G. Louie, O. M. Bakr, D. Hsieh, and M. Bernardi, “Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals,” Nat. Comm. 9, 1829 (2018).
618. Z. Pedramrazi, C. Chen, F. Z. Zhao, T. Cao, G. D. Nguyen, A. A. Omrani, H. Z. Tsai, R. R. Cloke, T. Marangoni, D. J. Rizzo, T. Joshi, C. Bronner, W. W. Choi, F. R. Fischer, S. G. Louie, and M. F. Crommie, “Concentration Dependence of Dopant Electronic Structure in Bottom-up Graphene Nanoribbons,” Nano Lett. 18, 3550 (2018).
619. D. J. Rizzo, G. Veber, T. Cao, C. Bronner, T. Chen, F. Zhao, H. Rodriguez, S. G. Louie, M. F. Crommie, and F. R. Fischer, “Topological Band Engineering of Graphene Nanoribbons,” Nature 560, 204 (2018).
620. Y.-L. Lee, F.Z. Zhao, T. Cao, J. Ihm, and S. G. Louie, “Topological Phases in Cove-Edged and Chevron Graphene Nanoribbons: Geometric Structures, Z₂ Invariants, and Junction States,” Nano Lett. 18, 7247 (2018).
621. Z. Li, T. Cao, and S. G. Louie, “Two-dimensional ferromagnetism in few-layer van der Waals crystals: Renormalized spin-wave theory and calculations,” J. of Mag. and Mag. Mat., 463, 28-35 (2018).
622. S. Refaely-Abramson, D. Y. Qiu, S. G. Louie, and J. B. Neaton, “Defect-induced modification of low-lying excitons and valley selectivity in monolayer transition metal dichalcogenides,” Phys. Rev. Lett. 121, 167402 (2018).
623. A. Fang, Z. Q. Zhang, S. G. Louie and C. T. Chan, “Nonuniversal critical behavior in disordered pseudospin-1 systems,” Phys. Rev. B 99, 014209 (2019).
624. M. del Ben, F. H. da Jornada, A. Canning, N. Wichmann, K. Raman, R. Sasanka, C. Yang, S. G. Louie, and J. Deslippe, “Large Scale GW Calculation on Pre-Exascale HPC Systems,” Compt. Phys. Comm. 235, 187 (2019).
625. M. I. B. Utama, H. Kleemann, W. Y. Zhao, C. S. Ong, F. H. Da Jornada, D. Y. Qiu, H. Cai, H. Li, R. Kou, S. H. Zhao, S. Wang, K. Watanabe, T. Taniguchi, S. Tongay, A. Zettl, S. G. Louie, and F. Wang, “A dielectric-defined lateral heterojunction in a monolayer semiconductor,” Nature Electronics 2, 60 (2019).
626. B. A. Barker, A. J. Bradley, M. M. Ugeda, S. Coh, A. Zettl, M. F. Crommie, S. G. Louie and M. L. Cohen, “Geometry and electronic structure of iridium adsorbed on graphene,” Phys. Rev. B 99, 075431 (2019).
627. Y. Aoki, M., Sakurai, S. Coh, J. R. Chelikowsky, S. G. Louie, M. L. Cohen, and S. Saito, “Insulating titanium oxynitride for visible light photocatalysis,” Phys. Rev. B 99, 075203 (2019).
628. L. Guo, M. Wu, T. Cao, D. M. Monahan, Y.-H. Lee, S. G. Louie, and G. R. Fleming, “Exchange-driven intravalley mixing of excitons in monolayer transition metal dichalcogenides,” Nature Physics 15, 228 (2019).
629. A. Azizi, G. Antonius, E. Regan, R. Eskandari, S. Kahn, F. Wang, S. G. Louie, and A. Zettl, “Layer-Dependent Electronic Structure of Atomically Resolved Two-Dimensional Gallium Selenide Telluride,” Nano Lett. 19, 1782 (2019).
630. M. Del Ben, F. H. da Jornada, G. Antonius, T. Rangel, S. G. Louie, J. Deslippe, and A. Canning, “Static subspace approximation for the evaluation of G0W0 quasiparticle energies within a sum-over-bands approach,” Phys. Rev. B 99, 125128 (2019).
631. D. J. Rizzo, M. Wu, H.-Z. Tsai, T. Marangoni, R. A. Durr, A. A. Omrani, F. Liou, C. Bronner, T. Joshi, G. D. Nguyen, G. F. Rodgers, W.-W. Choi, J. H. Jørgensen, F. R. Fischer, S. G. Louie, and M. F. Crommie, “Length-Dependent Evolution of Type II Heterojunctions in Bottom-Up-Synthesized Graphene Nanoribbons,” Nano Lett. 19, 3221 (2019).
632. A. Fang, Z. Q. Zhang, S. G. Louie, and C. T. Chan, “Pseudospin-1 Physics of Photonic Crystals,” Research 2019, 3054062 (2019).
633. Z. Li, G. Antonius, M. Wu, F. H. da Jornada, and S. G. Louie, “Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the Method: Correlation-Enhanced Interactions and Superconductivity in Ba_1−xK_xBiO₃,” Phys. Rev. Lett. 122, 186402 (2019).
634. L. Tsui, Z. X. Li, Y. T. Huang, S. G. Louie and D.H. Lee, “Classification of topological trivial matter with non-trivial defects,” Science Bulletin 64, 575 (2019).
635. S. K. Vadlamani, S. Agarwal, D. T. Limmer, S. G. Louie, F. R. Fischer, and E. Yablonovitch, “Tunnel-FET Switching Is Governed by Non-Lorentzian Spectral Line Shape,” Proceed. of IEEE 108, 1235 (2019).
636. M. Wu, Z. Li, T. Cao, and S. G. Louie, “Physical Origin of Giant Excitonic and Magneto-optical Responses in Two-dimensional Ferromagnetic Insulators,” Nat. Commun. 10, no. 1, 1-8, (2019). DOI: 10.1038/s41467-019-10325-7
637. D. Wing, J. B. Haber, R. Noff, B. Barker, D. A. Egger, A. Ramasubramaniam, S. G. Louie, J. B. Neaton, and L. Kronik, “Comparing Time-dependent Density Functional Theory with Many-body Perturbation Theory for Semiconductors: Screened Range-separated Hybrids and the GW Plus Bethe-Salpeter Approach,” Phys. Rev. Mater. 3, 064603 (2019).
638. Z.-F. Liu, F. H. da Jornada, S. G. Louie, and J. B. Neaton, “Accelerating GW-Based Energy Level Alignment Calculations for Molecule−Metal Interfaces Using a Substrate Screening Approach,” J. Chem. 15(7), 4218-4227, (2019).
639. S. Barja, S. Refaely-Abramson, B. Schuler, D. Y. Qiu, A. Pulkin, S. Wickenburg, H. Ryu, M. M. Ugeda, C. Kastl, C. Chen, C. Hwang, A. Schwartzberg, S. Aloni, S.-K. Mo, D. F. Ogletree, M. F. Crommie, O. V. Yazyev, S. G. Louie, J. B. Neaton and A. Weber-Bargioni, “Identifying Substitutional Oxygen as a Prolific Point Defect in Monolayer Transition Metal Dichalcogenides,” Nat. commun. 10(1), 1-8 (2019).
640. B. Schuler, D. Y Qiu, S. Refaely-Abramson, C. Kastl, C. T. Chen, S. Barja, R. J. Koch, D. F. Ogletree, S. Aloni, A. M. Schwartzberg, J. B Neaton, S. G Louie, A. Weber-Bargioni, “Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer WS2,” Phys. Rev. Lett. 123, 076801 (2019).
641. C.K. Yong, M.I.B. Utama, C.S. Ong, T. Cao, E. C. Regan, J. Horng, Y. Shen, H. Cai, K. Watanabe, T. Taniguchi, and S. Tongay, H. Deng, A. Zettl, S. G. Louie, and F. Wang, “Valley-dependent Exciton Fine Structure and Autler–Townes Doublets from Berry Phases in Monolayer MoSe2,” Nat. Mater., 18(10), 1065-1070, (2019).
642. É. Gaufrès, F. Fossard, V. Gosselin, L. Sponza, F. Ducastelle, Z. Li, S. G. Louie, R. Martel, M. Côté, A. Loiseau, A. Weber-Bargioni, “Momentum-Resolved Dielectric Response of Free-Standing Mono-, Bi-, and Trilayer Black Phosphorus,” Nano Lett. 19(11), 8303-8310, (2019).
643. Y. Chen, W. Ruan, M. Wu, S. Tang, H. Ryu, H.-Z. Tsai, R. Lee, S. Kahn, F. Liou, C. Jia, O. R. Albertini, H. Xiong, T. Jia, Z. Liu, J. A Sobota, A. Y. Liu, J. E. Moore, Z.-X. Shen, S. G. Louie, S.-K. Mo, M. F. Crommie, “Strong correlations and orbital texture in single-layer 1T-TaSe2,” Nat. Phys. 1-7, (2020).
644. S. Zhao, G. B. Barin, T. Cao, J. Overbeck, R. Darawish, T. Lyu, S. G. Drapcho, S. Wang, T. Dumslaff, A. Narita, M. Calame, K. Müllen, S. G. Louie, P. Ruffieux, R. Fasel, F. Wang, “Optical Imaging and Spectroscopy of Atomically Precise Armchair Graphene Nanoribbons,” Nano Lett. 20, 1124-1130, (2020).
645. I. Piskun, R. Blackwell, J. Jornet-Somoza, F. Zhao, A. Rubio, S. G. Louie, F. R. Fischer, “Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation,” J. Am. Chem. Soc. 142(8), 3696-3700, (2020).
646. F. H. da Jornada, L. Xian, A. Rubio, and S. G. Louie, “Universal Slow Plasmons and Giant Field Enhancement in Atomically Thin Quasi-two-dimensional Metals,” Nat. commun. 11(1), 1-10, (2020).
647. T. Rangel, M. Del Ben, D. Varsano, G. Antonius, F. Bruneval, H. Felipe, M. J. van Setten, O. K. Orhan, D. D. O’Regan, A. Canning, A. Ferretti, A. Marini, G.-M. Rignanese, J. Deslippe, S. G. Louie, J. B. Neaton, “Reproducibility in G0W0 calculations for solids,” Comput. Phys. Commun., 107242, (2020).
648. F. Brown-Altvater, G. Antonius, T. Rangel, M. Giantomassi, C. Draxl, X. Gonze, S. G. Louie, J. B. Neaton, “Band Gap Renormalization, Carrier Mobilities, and the Electron-phonon Self-energy in Crystalline Naphthalene,” Phys. Rev. B, 101(16), 165102, (2020).
649. D. Y. Qiu, S. Coh, M. L. Cohen, S. G. Louie, “Comparison of G W band structure to semiempirical approach for an FeSe monolayer,” Phys. Rev. B, 101(23), 235154, (2020).
650. P. H. Jacobse, R. D. McCurdy, J. Jiang, D. J. Rizzo, G. Veber, P. Butler, R. Zuzak, S. G. Louie, F. R. Fischer, M. F. Crommie, “Bottom-up Assembly of Nanoporous Graphene with Emergent Electronic States,” J. Am. Chem. Soc., 142(31), 13507-13514, (2020).
651. D. J. Rizzo, G. Veber, J. Jiang, R. McCurdy, T. Cao, C. Bronner, T. Chen, S. G. Louie, F. R. Fischer, M. F. Crommie, “Inducing metallicity in graphene nanoribbons via zero-mode superlattices,” Science, 369(6511), 1597-1603, (2020).
652. H. Z. Tsai, J. Lischner, A. A. Omrani, F. Liou, A. S. Aikawa, C. Karrasch, S. Wickenburg, A. Riss, K. C. Natividad, J. Chen, W. W. Choi, K. Watanabe, T. Taniguchi, C. Su, S. G. Louie, A. Zettl, J. Lu, M. F. Crommie, “A molecular shift register made using tunable charge patterns in one-dimensional molecular arrays on graphene,” Nature Electronics, 3(10), 598-603, (2020).
653. M. Del Ben, C. Yang, Z. Li, F. H. da Jornada, S. G. Louie, J. Deslippe, “Accelerating large-scale excited-state GW calculations on leadership HPC systems,” International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 36-46, IEEE Computer Society, (2020).
654. A. Miglio, V. Brousseau-Couture, E. Godbout, G. Antonius, Y.-H. Chan, S. G. Louie, M. Côté, M. Giantomassi, X. Gonze, “Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap,” npj Computational Materials, 6(1), 1-8, (2020).
655. G. Antonius, Y.-H. Chan, S. G. Louie, “Polaron spectral properties in doped ZnO and SrTiO 3 from first principles,” Physical Review Research, 2(4), 043296, (2020).
656. X. Jiang, C. Shi, Z. Li, S. Wang, Y. Wang, S. Yang, S. G. Louie, X. Zhang, “Direct observation of Klein tunneling in phononic crystals.,” Science, 370(6523), 1447-1450, (2020).
657. J. Jiang, S. G. Louie, “Topology Classification using Chiral Symmetry and Spin Correlations in Graphene Nanoribbons,” Nano Letters, 21(1), 197-202, (2020).
658. D. Y. Qiu, F. H. da Jornada, S. G. Louie, “Solving the Bethe-Salpeter equation on a subspace: Approximations and consequences for low-dimensional materials ,” Physical Review B, 103(4), 045117, (2021).
659. H. Li, S. Li, M. H. Naik, J. Xie, X. Li, J. Wang, E. Regan, D. Wang, W. Zhao, S. Zhao, S. Kahn, K. Yumigeta, M. Blei, T. Taniguchi, K. Watanabe, S. Tongay, A. Zettl, S. G. Louie, F. Wang, M. F. Crommie, “Imaging moiré flat bands in three-dimensional reconstructed WSe 2/WS 2 superlattices ,” Nature Materials, 1-6, (2021).
660. Z. Li, M. Wu, Y.-H. Chan, S. G. Louie, “Unmasking the Origin of Kinks in the Photoemission Spectra of Cuprate Superconductors,” Physical Review Letters, 126, 146401, (2021).
661. H. Bretscher, Z. J. Li, J. Xiao, D. Y. Qiu, S. Refaely-Abramson, J. A. Alexander-Webber, A. Tanoh, Y. Fan, G. Delport, C. A. Williams, S. D. Stranks, S. Hofmann, J. B. Neaton, S. G. Louie, and A. Rao, “Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides,” ACS Nano, 15, 8780, (2021).
662. S. G. Louie, Y. H. Chan, F. H. da Jornada, Z. Li and D. Y. Qiu, “Discovering and understanding materials through computation,” Nature Materials 20, 728, (2021).
663. Y.-H. Chan, D. Y. Qiu, F. H. da Jornada, and S. G. Louie, “Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions,” Proc. Natl. Acad. Sci. U.S.A. 118, e1906938118 (2021).
664. H. Y. Li, S. W. Li, M. H. Naik, J. X. Xie, X. Y. Li, E. Regan, D. Q. Wang, W. Y. Zhao, K. Yumigeta, M. Blei, T. Taniguchi, K. Watanabe, S. Tongay, A. Zettl, S. G. Louie, M. F. Crommie, and F. Wang, “Imaging local discharge cascades for correlated electrons in WS2/WSe2 moire superlattices,” Nature Physics 17, 1114 (2021).
665. W. Ruan, Y. Chen, S. J. Tang, J. Hwang, H. Z. Tsai, R. L. Lee, M. Wu, H. Ryu, S. Kahn, F. Liou, C. H. Jia, A. Aikawa, C. Hwang, F. Wang, Y. Choi, S. G. Louie, P. A. Lee, Z. X. Shen, S. K. Mo, and M. F. Crommie, “Evidence for quantum spin liquid behaviour in single-layer 1T-TaSe2 from scanning tunnelling microscopy,” Nature Physics 17, 1154 (2021).
666. K.-Q. Lin, C. S. Ong, S. Bange, P. E. Faria Jr., B. Peng, J. D. Ziegler, J. Zipfel, C. Bauml, N. Paradiso, K. Watanabe, T. Taniguchi, C. Strunk, B. Monserrat, J. Fabian, A. Chernikov, D. Y. Qiu, S. G. Louie and J. M. Lupton, “Narrow-band high-lying excitons with negative-mass electrons in monolayer WSe2,” Nature Communications 12, 5500 (2021).
667. F. Z. Zhao, T. Cao and S. G. Louie, “Topological Phases in Graphene Nanoribbons Tuned by Electric Fields,” Physical Review Letters 127, 166401 (2021).
668. D. J. Rizzo, J. W. Jiang, D. Joshi, G. Veber, C. Bronner, R. A. Durr, P. H. Jacobse, T. Cao, A. Kalayjian, H. Rodriguez, P. Butler, T. Chen, S. G. Louie, F. R. Fischer, and M. F. Crommie, “Rationally Designed Topological Quantum Dots in Bottom-Up Graphene Nanoribbons,” ACS Nano 15, 20633 (2021).
669. P. H. Jacobse, Z. X. Jin, J. W. Jiang, S. Peurifoy, Z. Q. Yue, Z. Y. Wang, D. J. Rizzo, S. G. Louie, C. Nuckolls, and M. F. Crommie, “Pseudo-atomic Orbital Behavior in Graphene Nanoribbons with Four-Membered Rings,” Science Advances 7, eabl5892 (2021).
670. R. E. Blackwell, F. Z. Zhao, E. Brooks, J. M. Zhu, I. Piskun, S. K. Wang, A. Delgado, Y.-L. Lee, S. G. Louie, and F. R. Fischer, “Spin Splitting of Dopant Edge States in Magnetic Zigzag Graphene Nanoribbons,” Nature 600, 647 (2021).
671. M. Wu, Z. Li, and S. G. Louie, “Optical and Magneto-optical Properties of Ferromagnetic Monolayer CrBr3: A First-principles GW and GW plus Bethe-Salpeter Equation Study,” Physical Review Materials 6, 014008 (2022).
672. F. Zhang, C. S. Ong, J. W. Ruan, M. Wu, X. Q. Shi, Z. K. Tang, and S. G. Louie, “Intervalley Excitonic Hybridization, Optical Selection Rules, and Imperfect Circular Dichroism in Monolayer hBN,” Physical Review Letters 128, 047402 (2022).
673. G. Antonios and S. G. Louie, “Theory of Exciton-phonon Coupling,” Physical Review B 105, 085111 (2022).
674. T. Chagas, O. A. Ashour, G. A. S. Ribeiro, W. S. Silva, Z. L. Li, S. G. Louie, R. Magalhaes-Paniago, and Y. Petroff, “Multiple Strong Topological Gaps and Hexagonal Warping in Bi4Te3,” Physical Review B 105, L081409 (2022).
675. W. W. Gao, F. H. da Jornada, M. Del Ben, J. Deslippe, S. G. Louie and J. R. Chelikowsky, “Quasiparticle Energies and Optical Excitations of 3C-SiC Divacancy from GW and GW plus Bethe-Salpeter Equation Calculations,” Physical Review Materials 6, 036201 (2022).
676. F. Tang, Z. L. Li, C. Y. Zhang, S. G. Louie, R. Car, D. Y. Qiu, and X. F. Wu, “Many-body Effects in the X-ray Absorption Spectra of Liquid Water,” Proc. Natl. Acad. Sci. U.S.A. 119, e 2201258119 (2022).
677. L. Zhou, J. W. Huang, L. Windgaetter, C. S. Ong, X. X. Zhao, C. R. Zhang, M. Tang, Z. Y. Li, C. Y. Qiu, S. Latini, Y. F. Lu, D, Wu, H.Y. Gou, A. T. S. Wee, H. Hosono, S. G. Louie, P. Z. Tang, A. Rubio, and H. T. Yuan, “Unconventional excitonic states with phonon sidebands in layered silicon diphosphide,” Nature Materials 21, 773 (2022).
678. C. Su, F. Zhang, S. Kahn, B. Shevitski, J. W. Jiang, C. H. Dai, A. Ungar, J.-H. Park, K. Watanabe, T. Taniguchi, J. Kong, Z. K. Tang, W. Q. Zhang, F. Wang, M. F. Crommie, S. G. Louie, S. Aloni and A. Zettl, “Tuning colour centres at a twisted hexagonal boron nitride interface,” Nature Materials 21, 896 (2022).
679. E. C. H. Wen, P. H. Jacobse, J. W. Jiang, Z. Y. Wang, R. D. McCurdy, S. G. Louie, M. F. Crommie, and F. R. Fischer, “Magnetic Interactions in Substitutional Core-Doped Graphene Nanoribbons,” Journal of the American Chemical Society 144, 13696 (2022).
680. Y. Lin, Y.-H. Chan, W. J. Lee, L. S. Lu, Z. L. Li, W.-H. Chang, C.-K. Shih, R. A. Kaindl, S. G. Louie, and A. Lanzara, “Exciton-driven renormalization of quasiparticle band structure in monolayer MoS2,” Physical Review B 106, L081117 (2022).
681. M. H. Naik, E. C. Regan, Z. C. Zhang Y.-H. Chan, Z. L. Li, D. Q. Wang, Y. S. Yoon, C. S. Ong, W. Y. Zhao, S. H. Zhao, M. I. B. Utama, B. N. Gao, X. Wei, M. Sayyad, K. Yumigeta, K. Watanabe, T. Taniguchi, S. Tongay, F. H. da Jornada, F. Wang, and S. G. Louie, “Intralayer charge-transfer moiré excitons in van der Waals superlattices,” Nature 609, 52 (2022).
682. Y. Chen, W.-Y. He, W. Ruan, J. W. Hwang, S. J. Tang, R. L. Lee, M. Wu, T. C. Zhu, C. X. Zhang, H. J. Ryu, F. Wang, S. G. Louie, Z.-X. Shen, S.-K. Mo, P. A. Lee and M. F. Crommie, “Evidence for a spinon Kondo effect in cobalt atoms on single-layer 1T-TaSe2,” Nature Physics 18, 1335 (2022).
683. B. A. Barker, J. Deslippe, J. Lischner, M. Jain, O. V. Yazyev, D. A. Strubbe, and Steven G. Louie, “Spinor GW/Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance,” Physical Review B 106, 115127 (2022).
684. J. Yin, Y.-H. Chan, F. H. da Jornada, D. Y. Qiu, S. G. Louie, and C. Yang, “Using dynamic mode decomposition to predict the dynamics of a two-time non-equilibrium green’s function,” Journal of Computational Science 64, 101843 (2022).
685. S. Susarla, M. H. Naik, D. D. Blach, J. Zipfel, T. Taniguchi, K. Watanabe, L. B. Huang, R. Ramesh, F. H. da Jornada, S. G. Louie, P. Ercius, and A. Raja, “Hyperspectral imaging of exciton confinement within a moire unit cell with a subnanometer electron probe,” Science 378, 1235 (2022).
686. Z.-X. Li, S. G. Louie, and D.-H. Lee, “Emergent superconductivity and non-Fermi liquid transport in a doped valence bond solid insulator,” Physical Review B 107, L041103 (2023).
687. J. Yin, Y.-H. Chan, F. H. da Jornada, D. Y. Qiu, C. Yang, and S. G. Louie, “Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition,” Journal of Computational Physics 477, 111909 (2023).
688. Y.-H. Chan, J. B. Haber, M. H. Naik, J. B. Neaton, D. Y. Qiu, F. H. da Jornada, and S. G. Louie, “Exciton lifetime and optical line width profile via exciton–phonon interactions: Theory and first-principles calculations for monolayer MoS2,” Nano Letters 23, 3971 (2023).
689. R. D. McCurdy, A. Delgado, J.-W. Jiang, J.-M. Zhu, E. C. H. Wen, R. E. Blackwell, G. C. Veber, S.-K. Wang, S. G. Louie, and F. R. Fischer, “Engineering Robust Metallic Zero-Mode States in Olympicene Graphene Nanoribbons,” J. Am. Chem. Soc. 145, 15162 (2023).
690. J.-W. Ruan, Z.-L. Li, C. S. Ong, and S. G. Louie, “Optically controlled single-valley exciton doublet states with tunable internal spin structures and spin magnetization generation,” Proc. Natl. Acad. Sci. U.S.A. 120, e2307611120 (2023).
691. Y.-H. Chan, D. Y. Qiu, F. H. da Jornada, and S. G. Louie, “Giant self-driven exciton-Floquet signatures in time-resolved photoemission spectroscopy of MoS2 from time-dependent GW approach,” Proc. Natl. Acad. Sci. U.S.A. 120, e2301957120 (2023).
692. E. C. H. Wen, P. H. Jacobse, J.-W. Jiang, Z.-Y. Wang, S. G. Louie, M. F. Crommie, and F. R. Fischer, “Fermi-Level Engineering of Nitrogen Core-Doped Armchair Graphene Nanoribbons,” J. Am. Chem. Soc. 145, 19338 (2023).
693. C. Chen, X. Chen, W.-C. Tang, Z.-L. Li, S.-Q. Wang, S.-H. Ding, Z.-B Kang, C. Jozwiak, A. Bostwick, E. Rotenberg, M. Hashimoto, D.-H. Lu, J. P. C. Ruff, S. G. Louie, R. J. Birgeneau, Y.-L. Chen, Y. Wang, and Yu He, “Role of electron-phonon coupling in excitonic insulator candidate Ta2NiSe5,” Phys. Rev. Res. 5, 043089 (2023).
694. C. Chen, W.-C. Tang, X. Chen, Z.-B. Kang, S.-H. Ding, K. Scott, S.-Q. Wang, Z.-L. Li, J. P.C. Ruff, M. Hashimoto, D.-H. Lu, C. Jozwiak, A. Bostwick, E. Rotenberg, E. H. da Silva Neto, R. J. Birgeneau, Y.-L. Chen, S. G. Louie, Y. Wang, and Y. He, “Anomalous excitonic phase diagram in band-gap-tunedTa2Ni(Se,S)5,” Nat. Commun. 14, 7512 (2023).
695. C. Hu, M. H. Naik, Y.-H. Chan, and S. G. Louie, “Excitonic interactions and mechanism for ultrafast interlayer photoexcited response in van der Waals heterostructures,” Phys. Rev. Lett. 131, 236904 (2023).
696. C. Hu, M. H. Naik, Y.-H. Chan, J.-W. Ruan, and S. G. Louie, “Light-induced shift current vortex crystals in moiré heterobilayers,” Proc. Natl. Acad. Sci. U.S.A. 120, e2314775120 (2023).
697. Z.-L. Li, G. Antonius, Y.-H. Chan, and S. G. Louie, “Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW,” Comp. Phys. Commun., 295, 109003 (2024).
698. H.-Y. Li, Z.-Y. Xiang, Mit H. Naik, W.-C. Kim, Z.-L. Li, R. Sailus, R. Banerjee, T. Taniguchi, K. Watanabe, S. Tongay, Alex Zettl, F. H. da Jornada, S. G. Louie, M. F. Crommie, and F. Wang, “Imaging Moiré Excited States with Photocurrent Tunneling Microscopy,” Nat. Mat. 23, 633 (2024).
699. K. Slicker, A. Delgado, J.-W. Jiang, W.-C. Tang, A. Cronin, R. E. Blackwell, S. G. Louie, and F. R. Fischer, “Engineering Small HOMO–LUMO Gaps in Polycyclic Aromatic Hydrocarbons with Topologically Protected States,” Nano Lett. 24, 5387 (2024).
700. B.-Y. Qie, Z.-Y. Wang, J.-W. Jiang, Z.-S. Zhang, P. H. Jacobse, J.-M. Lu, X.-H. Li, F.-J. Liu, A. N. Alexandrova, S. G. Louie, M. F. Crommie, and F. R. Fischer, ““Synthesis and characterization of low-dimensional N-heterocyclic carbene lattices,” Science 384, 895 (2024).
701. M. C. Daugherty, P. H. Jacobse, J.-W. Jiang, J. Jornet-Somoza, R. Dorit, Z.-Y. Wang, J.-M. Lu, R. McCurdy, W.-C. Tang, A. Rubio, S. G. Louie, M. F. Crommie, and F. R. Fischer, ““Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons,” J. Am. Chem. Soc. 146, 15879 (2024).

 

Books

1. J. R. Chelikowsky and S. G. Louie, Editors: Quantum Theory of Real Materials (Kluwer Academic Press, Boston, 1996).
2. J. R. Chelikowsky, S. G. Louie, G. Martinez, and E. L. Shirley, Editors: The Optical Properties of Materials, MRS Symp. Proceed. Vol. 579 (Materials Research Society, Warrendale PA, 2000).
3. M. L. Cohen and S. G. Louie, vol. eds., Conceptual Foundations of Materials: A Standard Model for Ground- and Excited-State Properties; series eds. E. Burstein, M. L. Cohen, D.L. Mills, P.J. Stiles, Contemporary Concepts of Condensed Matter Physics (Elsevier, Amsterdam, 2006).
4. M. L. Cohen and S. G. Louie, Fundamentals of Condensed Matter Physics (Cambridge University Press, Cambridge, United Kingdom, 2016). ISBN: 978-0521513319 

Reports

1. P. Landau, F. F. Abraham, G. G. Batrouni, J. M. Carlson, J. R. Chelikowsky, D. D. Koelling, S. G. Louie, C. Mailhiot, A. C. Switendick, P. R. Taylor, and A. R. Williams, National Research Council Report, Computational and Theoretical Techniques for Materials Science (National Academy Press, Washington, D.C., 1995).

Patents

1. M. L. Cohen, V. H. Crespi, S. G. Louie, and A. Zettl, “Metallic Carbon Materials,” U.S. Patent #5,993,697 (11/30/1999).
2. V. H. Crespi, M. L. Cohen, S. G. Louie, and A. K. Zettl, “Nanotube Junctions,” U.S. Patent #6,538,262 (03/25/2003).
3. V. H. Crespi, M. L. Cohen, S. G. Louie, and A. K. Zettl, “Nanotube Junctions,” U.S. Patent #6,835,952 (12/28/2004).
4. J. P. Cumings, A. Zettl, S. G. Louie, and M. L. Cohen, “Telescoped Multiwall Nanotube and Manufacture Thereof,” U.S. Patent #6,874,668 (04/05/2005).
5. C. R. Piskoti, A. K. Zettl, M. L. Cohen, M. Cote, J. C. Grossman, and S. G. Louie, “Carbon Based Thirty Six Atom Spheres,” U.S. Patent #6,939,524 (09/06/2005).
6. J. P. Cumings, A. K. Zettl, S. G. Louie, and M. L. Cohen, “Telescoped Multiwall Nanotube and Manufacture thereof,” U.S. Patent #7,238,425 B2 (07/03/2007).
7. C. Jozwiak, C.-H. Park, K. Gotlieb, S. G. Louie, Z. Hussain, and A. Lanzara, “Versatile spin-polarized electron source,” U.S. Patent # 9,142,634 (09/22/2015).