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Accurate GW self-energies in a plane-wave basis using only a few empty states: Towards large systems

Bibliographic reference Bruneval, Fabien ; Gonze, Xavier. Accurate GW self-energies in a plane-wave basis using only a few empty states: Towards large systems. In: Physical review. B, Condensed matter and materials physics, Vol. 78, no. 8, p. 085125 : 1-9 (2008)
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  1. Hohenberg P., Kohn W., Inhomogeneous Electron Gas, 10.1103/physrev.136.b864
  2. Kohn W., Sham L. J., Self-Consistent Equations Including Exchange and Correlation Effects, 10.1103/physrev.140.a1133
  3. Hedin Lars, New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem, 10.1103/physrev.139.a796
  4. Strinati G., Application of the Green’s functions method to the study of the optical properties of semiconductors, 10.1007/bf02725962
  5. W. G. Aulbur, Solid State Commun., 54, 1 (2000)
  6. Tiago Murilo L., Ismail-Beigi Sohrab, Louie Steven G., Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximation, 10.1103/physrevb.69.125212
  7. van Schilfgaarde Mark, Kotani Takao, Faleev Sergey V., Adequacy of approximations inGWtheory, 10.1103/physrevb.74.245125
  8. Reining Lucia, Onida Giovanni, Godby R. W., Elimination of unoccupied-state summations inab initioself-energy calculations for large supercells, 10.1103/physrevb.56.r4301
  9. Tiago Murilo L., Chelikowsky James R., Optical excitations in organic molecules, clusters, and defects studied by first-principles Green’s function methods, 10.1103/physrevb.73.205334
  10. Kümmel Stephan, Kronik Leeor, Orbital-dependent density functionals: Theory and applications, 10.1103/revmodphys.80.3
  11. Sharp R. T., Horton G. K., A Variational Approach to the Unipotential Many-Electron Problem, 10.1103/physrev.90.317
  12. Krieger J.B., Li Yan, Iafrate G.J., Derivation and application of an accurate Kohn-Sham potential with integer discontinuity, 10.1016/0375-9601(90)90975-t
  13. Gritsenko O. V., Baerends E. J., Orbital structure of the Kohn-Sham exchange potential and exchange kernel and the field-counteracting potential for molecules in an electric field, 10.1103/physreva.64.042506
  14. Anglade P.-M., Gonze X., Preconditioning of self-consistent-field cycles in density-functional theory: The extrapolar method, 10.1103/physrevb.78.045126
  15. Hybertsen Mark S., Louie Steven G., Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies, 10.1103/physrevb.34.5390
  16. G. D. Mahan, Many-Particle Physics (2000)
  17. Taut M, Frequency moments of the dielectric function for an inhomogeneous electron gas, 10.1088/0022-3719/18/13/014
  18. van Schilfgaarde M., Kotani Takao, Faleev S., Quasiparticle Self-ConsistentGWTheory, 10.1103/physrevlett.96.226402
  19. Bruneval Fabien, Vast Nathalie, Reining Lucia, Effect of self-consistency on quasiparticles in solids, 10.1103/physrevb.74.045102
  20. Onida Giovanni, Reining Lucia, Godby R. W., Del Sole R., Andreoni Wanda, Ab InitioCalculations of the Quasiparticle and Absorption Spectra of Clusters: The Sodium Tetramer, 10.1103/physrevlett.75.818
  21. Ismail-Beigi Sohrab, Truncation of periodic image interactions for confined systems, 10.1103/physrevb.73.233103
  22. Shaltaf R., Rignanese G.-M., Gonze X., Giustino Feliciano, Pasquarello Alfredo, Band Offsets at theSi/SiO2Interface from Many-Body Perturbation Theory, 10.1103/physrevlett.100.186401
  23. Gonze Xavier, A brief introduction to the ABINIT software package, 10.1524/zkri.220.5.558.65066