English

Local Self-Energy Approach For Electronic Structure Calculations

Strongly Correlated Electrons 2012-04-11 v2 Materials Science

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.

Keywords

Cite

@article{arxiv.cond-mat/0511064,
  title  = {Local Self-Energy Approach For Electronic Structure Calculations},
  author = {N. E. Zein and S. Y. Savrasov and G. Kotliar},
  journal= {arXiv preprint arXiv:cond-mat/0511064},
  year   = {2012}
}

Comments

5 pages, 2 figures

R2 v1 2026-07-22T11:24:52.399Z