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Phys Rev Lett. 2007 Dec 14;99(24):246403. Epub 2007 Dec 12.

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

Author information

1
Faculty of Physics, Universit├Ąt Wien and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Wien, Austria.

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.

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