Merging GW with DMFT and non-local correlations beyond

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	Merging GW with DMFT and non-local correlations beyond
	Tomczak, J. M. ; Liu, P. ; Toschi, A. ; Kresse, G. ; Held, K.
刊名	EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
	2017-07-01
卷号	226 期号:11 页码:2565-2590
ISSN号	1951-6355
通讯作者	Held, K (reprint author), TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria.
中文摘要	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.
学科主题	Physics, Multidisciplinary
收录类别	SCI
资助信息	Austrian 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
语种	英语
公开日期	2017-08-17
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/78062]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 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..(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.