Local Self-Energy Approach For Electronic Structure Calculations

Details Local Self-Energy Approach For Electronic Structure Calculations Local Self-Energy Approach For Electronic Structure Calculations

2005-11-02

arxiv.org/abs/cond-mat/0511064v2

Phys. Rev. Lett. 96, 226403 (2006)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 2 figures

Scientific paper

10.1103/PhysRevLett.96.226403

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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