Literature DB >> 18233465

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

M Shishkin1, M Marsman, G Kresse.   

Abstract

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.

Year:  2007        PMID: 18233465     DOI: 10.1103/PhysRevLett.99.246403

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


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