Ab initio calculations with the dynamical vertex approximation

A. Toschi, G. Rohringer, A. A. Katanin, K. Held

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)

Abstract

We propose an approach for the ab initio calculation of materials with strong electronic correlations which is based on all local (fully irreducible) vertex corrections beyond the bare Coulomb interaction. It includes the so-called GW and dynamical mean field theory and important non-local correlations beyond, with a computational effort estimated to be still manageable. The authors propose an approach for the ab initio calculation of materials with strong electronic correlations which is based on all local (fully irreducible) vertex corrections beyond the bare Coulomb interaction. It includes the so-called GW and dynamical mean field theory and important non-local correlations beyond, with a computational effort estimated to be still manageable.

Original languageEnglish
Pages (from-to)698-705
Number of pages8
JournalAnnalen der Physik (Leipzig)
Volume523
Issue number8-9
DOIs
Publication statusPublished - Aug 2011
Externally publishedYes

Keywords

  • ab initio calculations
  • Dynamical mean field theory
  • many body theory.

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