Dresden 2017 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 5: Correlated Electrons: (General) Theory 1
TT 5.4: Vortrag
Montag, 20. März 2017, 10:15–10:30, HSZ 304
Ab initio dynamical vertex approximation — Anna Galler, Patrik Thunström, Patrik Gunacker, •Jan M. Tomczak, and Karsten Held — Institute of Solid State Physics, TU Wien, A-1040 Vienna, Austria
Diagrammatic extensions of dynamical mean field theory (DMFT) such as the dynamical vertex approximation (DΓA) allow us to include non-local correlations beyond DMFT on all length scales and proved their worth for model calculations. Here, we develop and implement an Ab-initio-DΓA approach for electronic structure calculations of materials. Starting point is the two-particle irreducible vertex in the two particle-hole channels which is approximated by the bare non-local Coulomb interaction and all local vertex corrections. From this we calculate the full non-local vertex and the non-local self-energy through the Bethe-Salpeter equation. The Ab-initio-DΓA approach naturally generates all local DMFT correlations and all non-local GW contributions, but also further non-local correlations beyond: mixed terms of the former two and non-local spin fluctuations. We apply this new methodology to the prototypical correlated metal SrVO3.