A First Principles Scheme for Calculating the Electronic Structure of Strongly Correlated Materials: GW+DMFT

Ferdi Aryasetiawan; Silke Biermann; Antoine Georges

A First Principles Scheme for Calculating the Electronic Structure of Strongly Correlated Materials: GW+DMFT

Strongly Correlated Electrons 2007-05-23 v1 Materials Science

Authors: Ferdi Aryasetiawan , Silke Biermann , Antoine Georges

Abstract

We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to describe Coulomb interactions and screening effects without adjustable parameters, thus avoiding the conceptual problems inherent to LDA+DMFT techniques.

Keywords

first principles approach strongly correlated materials GW approximation dynamical mean field theory electronic structure

Cite

@article{arxiv.cond-mat/0401626,
  title  = {A First Principles Scheme for Calculating the Electronic Structure of Strongly Correlated Materials: GW+DMFT},
  author = {Ferdi Aryasetiawan and Silke Biermann and Antoine Georges},
  journal= {arXiv preprint arXiv:cond-mat/0401626},
  year   = {2007}
}

Comments

18 pages, 3 figures, proceedings of the conference on "Coincidence Studies of Surfaces, Thin Films and Nanostructures", Ringberg castle, Sept. 2003. To be published by Wiley

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