Towards ab initio Calculations with the Dynamical Vertex Approximation

被引：22

作者：

Galler, Anna ^{[1
]}

Kaufmann, Josef ^{[1
]}

Gunacker, Patrik ^{[1
]}

Pickem, Matthias ^{[1
]}

Thunstroem, Patrik ^{[1
,2
]}

Tomczak, Jan M. ^{[1
]}

Held, Karsten ^{[1
]}

机构：

[1] TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria

[2] Uppsala Univ, Dept Phys & Astron Mat Theory, S-75120 Uppsala, Sweden

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2018年 / 87卷 / 04期

基金：

奥地利科学基金会;

关键词：

MEAN-FIELD THEORY; 3D(1)-CORRELATED METAL CA1-XSRXVO3; ELECTRONIC-STRUCTURE CALCULATIONS; HUBBARD-MODEL; CORRELATED ELECTRONS; INFINITE DIMENSIONS; BANDWIDTH CONTROL; GREENS-FUNCTION; SYSTEMS; SUPERCONDUCTIVITY;

D O I：

10.7566/JPSJ.87.041004

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页数：12

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