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 (DΓA). 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.
@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