I. Papers on the implementation of BerkeleyGW

  1. Jack Deslippe, Georgy Samsonidze, David A. Strubbe, Manish Jain, Marvin L. Cohen, and Steven G. Louie, “BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures,” Comput. Phys. Commun. 183, 1269 (2012) (most up-to-date on arXiV)
  2. Mark S. Hybertsen and Steven G. Louie, “Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies,” Phys. Rev. B 34, 5390 (1986) [GW, GPP, COHSEX]
    Errata: Eq. 11 should have E’ instead of E in the numerator. Eq. 32 should have Ω2 rather than Ω in the numerator. Eq. 34a should have δG,G instead of 1 in the parentheses.
  3. Sheng Bai Zhang, David Tománek, Marvin L. Cohen, Steven G. Louie, and Mark S. Hybertsen, “Evaluation of quasiparticle energies for semiconductors without inversion symmetry,” Phys. Rev. B 40, 3162 (1989) [GPP for systems without inversion symmetry]
  4. Michael Rohlfing and Steven G. Louie, “Electron-hole excitations and optical spectra from first principles,” Phys. Rev. B 62, 4927 (2000) [BSE]
    Errata: Eqs. 26 and 27 should have 8π2 instead of 16π in the prefactor. Eq. 44 should be a sum over G ≠ 0. Eq. 45 should have ε-1G,G’ instead of ε-1G,0.
  5. Je-Luen Li, Gian-Marco Rignanese, Eric K. Chang, Xavier Blase, and Steven G. Louie, “GW study of the metal-insulator transition of bcc hydrogen,” Phys. Rev. B 66, 035102 (2002) [spin-polarized GW]
  6. Sohrab Ismail-Beigi, “Truncation of periodic image interactions for confined systems,” Phys. Rev. B 73, 233103 (2006) [slab and wire truncation]
  7. Jeffrey B. Neaton, Mark S. Hybertsen, and Steven G. Louie, “Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces,” Phys. Rev. Lett. 97, 216405 (2006) [ICM]
    Erratum: p. 3, left col, last paragraph. Should be 1/2|z-z0| instead of 1/4|z-z0|.
  8. R. Haydock, “The recursive solution of the Schrödinger equation,” Comput. Phys. Commun. 20, 11 (1980)
  9. Loren X. Benedict and Eric L. Shirley, “Ab initio calculation of ε2(ω) including the electron-hole interaction: Application to GaN and CaF2,” Phys. Rev. B 59, 5441 (1999) [Haydock recursion in BSE]
  10. Georgy Samsonidze, Manish Jain, Jack Deslippe, Marvin L. Cohen, and Steven G. Louie, “Simple approximate physical orbitals for GW quasiparticle calculations,” Phys. Rev. Lett. 107, 186404 (2011) [SAPO]
II. Review articles on the GW approximation and Bethe-Salpeter equation approaches
  1. Lars Hedin and Stig Lundqvist, “Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids,” Solid State Phys. 23, 1 (1970)
  2. Mark S. Hybertsen and Steven G. Louie, “Theory and Calculation of Quasiparticle Energies and Band Gaps,” Comments on Cond. Mat. Phys. 13, 223 (1987)
  3. G. Strinati, “Application of the Green’s functions method to the study of the optical properties of semiconductors,” Riv. Nuovo Cimento 11, 1 (1988)
  4. Steven G. Louie, “Quasiparticle Theory of Electron Excitations in Solids,” in Quantum Theory of Real Materials, eds. James R. Chelikowsky and Steven G. Louie, (Kluwer Press, Boston, 1996), p. 83
  5. Steven G. Louie, “First-Principles Theory of Electron Excitation Energies in Solids, Surfaces, and Defects,” in Topics in Computational Materials Science, ed. Ching-Yao Fong (World Scientific, Singapore, 1998) p. 96
  6. F. Aryasetiawan and O. Gunnarsson, “The GW method,” Rep. Prog. Phys. 61, 237 (1998)
  7. Lars Hedin, “On correlation effects in electron spectroscopies and the GW approximation,” J. Phys.: Condens. Matter 11, R489 (1999)
  8. Wilfried G. Aulbur, Lars Jönsson, and John W. Wilkins, “Quasiparticle calculations in solids,” Solid State Phys. 54, 1 (1999)
  9. Giovanni Onida, Lucia Reining, and Angel Rubio, “Electronic excitations: density-functional versus many-body Green’s-function approaches,” Rev. Mod. Phys. 74, 601 (2002)
  10. Steven G. Louie, “Predicting Materials and Properties: Theory of the Ground and Excited State,” in Conceptual Foundations of Materials: A Standard Model for Ground- and Excited-State Properties, vol. eds. Steven G. Louie and Marvin L. Cohen (Elsevier, Amsterdam, 2006) p. 9
III. Papers using BerkeleyGW

Please refer to the Google Scholar statistics of papers citing the BerkeleyGW code.

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