Local Self-Energy Approach For Electronic Structure Calculations

N. E. Zein; S. Y. Savrasov; G. Kotliar

doi:10.1103/physrevlett.96.226403

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Local Self-Energy Approach For Electronic Structure Calculations

N. E. Zein·S. Y. Savrasov·G. Kotliar

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Abstract

Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third-- nearest neighbors. Corrections beyond GW are evaluated and shown to be completely localized within a single unit cell. This can be viewed as a fully self consistent implementation of the dynamical mean field theory for electronic structure calculations of real solids using a perturbative impurity solver.

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N. E. Zein, S. Y. Savrasov, G. Kotliar. 2005-11-03. Local Self-Energy Approach For Electronic Structure Calculations. https://doi.org/10.1103/physrevlett.96.226403

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