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Merging GW with DMFT and non-local correlations beyond
Tomczak, J. M.; Liu, P.; Toschi, A.; Kresse, G.; Held, K.; Held, K (reprint author), TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria.
2017-07-01
Source PublicationEUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
ISSN1951-6355
Volume226Issue:11Pages:2565-2590
AbstractWe 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 ab initio simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (DI"A). 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.; 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 ab initio simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (DI"A). 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.
description.department[tomczak, j. m. ; toschi, a. ; held, k.] tu wien, inst solid state phys, a-1040 vienna, austria ; [liu, p. ; kresse, g.] univ vienna, fac phys, sensengasse 8-12, a-1090 vienna, austria ; [liu, p. ; kresse, g.] ctr computat mat sci, sensengasse 8-12, a-1090 vienna, austria ; [liu, p.] univ chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china
Subject AreaPhysics, Multidisciplinary
Funding OrganizationAustrian Science Fund (FWF) as part of the research unit FOR 1346 of the Deutsche Forschungsgemeinschaft (DFG) [I 1395-N26]; China Scholarship Council (CSC)-FWF Scholarship Program; Institute of Solid State Physics, TU Wein
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/78062
Collection中国科学院金属研究所
Corresponding AuthorHeld, K (reprint author), TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria.
Recommended Citation
GB/T 7714
Tomczak, J. M.,Liu, P.,Toschi, A.,et al. Merging GW with DMFT and non-local correlations beyond[J]. EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS,2017,226(11):2565-2590.
APA Tomczak, J. M.,Liu, P.,Toschi, A.,Kresse, G.,Held, K.,&Held, K .(2017).Merging GW with DMFT and non-local correlations beyond.EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS,226(11),2565-2590.
MLA Tomczak, J. M.,et al."Merging GW with DMFT and non-local correlations beyond".EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 226.11(2017):2565-2590.
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