English

Merging GW with DMFT and non-local correlations beyond

Strongly Correlated Electrons 2017-07-27 v1 Materials Science

Abstract

We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as implemented in the Vienna {\it ab initio} simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (DΓ\GammaA). The latter includes the physics of GW, DMFT and non-local correlations beyond, and allows for calculating (quantum) critical exponents. We present results obtained by the three methods with a focus on the benchmark material SrVO3_3.

Keywords

Cite

@article{arxiv.1703.08446,
  title  = {Merging GW with DMFT and non-local correlations beyond},
  author = {J. M. Tomczak and P. Liu and A. Toschi and G. Kresse and K. Held},
  journal= {arXiv preprint arXiv:1703.08446},
  year   = {2017}
}

Comments

tutorial review submitted to EPJ-ST (scientific report of research unit FOR 1346); 11 figures 27 pages

R2 v1 2026-06-22T18:56:00.778Z