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

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

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