Accurate Quasiparticle Spectra from Self-Consistent GW Calculations with Vertex Corrections
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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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3Topics & keywords
Topics
Keywords
- Quasiparticle
- GW approximation
- Physics
- Vertex (graph theory)
- Spectral line
- Band gap
- Self consistent
- Self-energy
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