Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections

Self-consistent GW calculations, maintaining only the quasiparticle part of the Green's function G, are reported for a wide class of materials, including small gap semiconductors and large gap insulators. We show that the inclusion of the attractive electron-hole interaction via an effective no...

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Bibliographic Details
Published inPhysical review letters Vol. 99; no. 24; p. 246403
Main Authors Shishkin, M, Marsman, M, Kresse, G
Format Journal Article
LanguageEnglish
Published United States 14.12.2007
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Summary:Self-consistent GW calculations, maintaining only the quasiparticle part of the Green's function G, are reported for a wide class of materials, including small gap semiconductors and large gap insulators. We show that the inclusion of the attractive electron-hole interaction via an effective nonlocal exchange correlation kernel is required to obtain accurate band gaps in the framework of self-consistent GW calculations. If these are accounted for via vertex corrections in W, the band gaps are found to be within a few percent of the experimental values.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.99.246403