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• W2022133714 abstract "Within many-body perturbation theory, we apply vertex corrections to various closed-shell atoms and to jellium, using a local approximation for the vertex consistent with starting the many-body perturbation theory from a Kohn-Sham Green's function constructed from density-functional theory in the local-density approximation. The vertex appears in two places---in the screened Coulomb interaction $W$ and in the self-energy $ensuremath{Sigma}$---and we obtain a systematic discrimination of these two effects by turning the vertex in $ensuremath{Sigma}$ on and off. We also make comparisons to standard $GW$ results within the usual random-phase approximation, which omits the vertex from both. When a vertex is included for closed-shell atoms, both ground-state and excited-state properties demonstrate little improvement over standard $GW$. For jellium, we observe marked improvement in the quasiparticle bandwidth when the vertex is included only in $W$, whereas turning on the vertex in $ensuremath{Sigma}$ leads to an unphysical quasiparticle dispersion and work function. A simple analysis suggests why implementation of the vertex only in $W$ is a valid way to improve quasiparticle energy calculations, while the vertex in $ensuremath{Sigma}$ is unphysical, and points the way to the development of improved vertices for ab initio electronic structure calculations." @default.
• W2022133714 created "2016-06-24" @default.
• W2022133714 creator A5034985589 @default.
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• W2022133714 date "2007-10-08" @default.
• W2022133714 modified "2023-10-18" @default.
• W2022133714 title "Vertex corrections in localized and extended systems" @default.
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• W2022133714 doi "https://doi.org/10.1103/physrevb.76.155106" @default.
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