Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit

doi:10.1088/1674-1056/19/8/087104

中国物理B ›› 2010, Vol. 19 ›› Issue (8): 87104-087104.doi: 10.1088/1674-1056/19/8/087104

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit

庄嘉宁, 刘青梅, 方忠, 戴希

Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

收稿日期:2009-11-16 修回日期:2010-03-02 出版日期:2010-08-15 发布日期:2010-08-15
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 10334090, 10425418, 60576058), and the National Basic Research Program of China (Grant No. 2007CB925000).

Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit

Zhuang Jia-Ning(庄嘉宁)^†ger, Liu Qing-Mei(刘青梅), Fang Zhong(方忠), and Dai Xi(戴希)

Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

Received:2009-11-16 Revised:2010-03-02 Online:2010-08-15 Published:2010-08-15
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 10334090, 10425418, 60576058), and the National Basic Research Program of China (Grant No. 2007CB925000).

摘要/Abstract

摘要： This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA (local density approximation) +,DMFT studies of the Mott insulators with long range order.

Abstract: This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA (local density approximation) +DMFT studies of the Mott insulators with long range order.

Key words: dynamical mean field theory, impurity solver, Mott insulator, antiferromagnetic order

中图分类号: (Density functional theory, local density approximation, gradient and other corrections)

71.15.Mb

71.27.+a (Strongly correlated electron systems; heavy fermions) 71.55.-i (Impurity and defect levels) 75.10.Lp (Band and itinerant models)

庄嘉宁, 刘青梅, 方忠, 戴希. Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit[J]. 中国物理B, 2010, 19(8): 87104-087104.

Zhuang Jia-Ning(庄嘉宁), Liu Qing-Mei(刘青梅), Fang Zhong(方忠), and Dai Xi(戴希). Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit[J]. Chin. Phys. B, 2010, 19(8): 87104-087104.

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Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit

Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit

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