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Towards ab initio Calculations with the Dynamical Vertex Approximation
TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria..
TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria..
TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria..
TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria..
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2018 (English)In: Journal of the Physical Society of Japan, ISSN 0031-9015, E-ISSN 1347-4073, Vol. 87, no 4, article id 041004Article in journal (Refereed) Published
Abstract [en]

While key effects of the many-body problem-such as Kondo and Mott physics-can be understood in terms of onsite correlations, non-local fluctuations of charge, spin, and pairing amplitudes are at the heart of the most fascinating and unresolved phenomena in condensed matter physics. Here, we review recent progress in diagrammatic extensions to dynamical mean-field theory for ab initio materials calculations. We first recapitulate the quantum field theoretical background behind the two-particle vertex. Next we discuss latest algorithmic advances in quantum Monte Carlo simulations for calculating such two-particle quantities using worm sampling and vertex asymptotics, before giving an introduction to the ab initio dynamical vertex approximation (AbinitioDGA). Finally, we highlight the potential of AbinitioDGA by detailing results for the prototypical correlated metal SrVO3.

Place, publisher, year, edition, pages
PHYSICAL SOC JAPAN , 2018. Vol. 87, no 4, article id 041004
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-347529DOI: 10.7566/JPSJ.87.041004ISI: 000425148600001OAI: oai:DiVA.org:uu-347529DiVA, id: diva2:1194999
Funder
EU, FP7, Seventh Framework Programme, 306447Available from: 2018-04-04 Created: 2018-04-04 Last updated: 2018-04-04Bibliographically approved

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Thunström, Patrik

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