Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver

doi:10.1088/1674-1056/25/11/117101

中国物理B ›› 2016, Vol. 25 ›› Issue (11): 117101-117101.doi: 10.1088/1674-1056/25/11/117101

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

Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver

Li Huang(黄理)

Science and Technology on Surface Physics and Chemistry Laboratory, China Academy of Engineering Physics, Jiangyou 621908, China

收稿日期:2016-03-25 修回日期:2016-07-08 出版日期:2016-11-05 发布日期:2016-11-05
通讯作者: Li Huang E-mail:lihuang.dmft@gmail.com
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11504340).

Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver

Li Huang(黄理)

Science and Technology on Surface Physics and Chemistry Laboratory, China Academy of Engineering Physics, Jiangyou 621908, China

Received:2016-03-25 Revised:2016-07-08 Online:2016-11-05 Published:2016-11-05
Contact: Li Huang E-mail:lihuang.dmft@gmail.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11504340).

摘要/Abstract

摘要：

Inspired by the recently proposed Legendre orthogonal polynomial representation for imaginary-time Green's functions G(τ), we develop an alternate and superior representation for G(τ) and implement it in the hybridization expansion continuous-time quantum Monte Carlo impurity solver. This representation is based on the kernel polynomial method, which introduces some integral kernel functions to filter the numerical fluctuations caused by the explicit truncations of polynomial expansion series and can improve the computational precision significantly. As an illustration of the new representation, we re-examine the imaginary-time Green's functions of the single-band Hubbard model in the framework of dynamical mean-field theory. The calculated results suggest that with carefully chosen integral kernel functions, whether the system is metallic or insulating, the Gibbs oscillations found in the previous Legendre orthogonal polynomial representation have been vastly suppressed and remarkable corrections to the measured Green's functions have been obtained.

关键词: kernel polynomial representation, imaginary-time Green', s function, continuous-time quantum Monte Carlo impurity solver, dynamical mean-field theory

Abstract:

Key words: kernel polynomial representation, imaginary-time Green', s function, continuous-time quantum Monte Carlo impurity solver, dynamical mean-field theory

中图分类号: (Lattice fermion models (Hubbard model, etc.))

71.10.Fd

71.27.+a (Strongly correlated electron systems; heavy fermions)

黄理. Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver[J]. 中国物理B, 2016, 25(11): 117101-117101.

Li Huang(黄理). Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver[J]. Chin. Phys. B, 2016, 25(11): 117101-117101.

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Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver

Kernel polynomial representation for imaginary-time Green's functions in continuous-time quantum Monte Carlo impurity solver

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