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Chin. Phys. B, 2010, Vol. 19(8): 087104    DOI: 10.1088/1674-1056/19/8/087104

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
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.
Keywords:  dynamical mean field theory      impurity solver      Mott insulator      antiferromagnetic order  
Received:  16 November 2009      Revised:  02 March 2010      Accepted manuscript online: 
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  71.27.+a (Strongly correlated electron systems; heavy fermions)  
  71.55.-i (Impurity and defect levels)  
  75.10.Lp (Band and itinerant models)  
Fund: 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).

Cite this article: 

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 2010 Chin. Phys. B 19 087104

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