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 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.
Shishkin
M
M
Faculty of Physics, Universität Wien and Center for Computational Materials Science, Sensengasse 8/12, A-1090 Wien, Austria.
Marsman
M
M
Kresse
G
G