Second-order many-body perturbation theory: an eternal frontier.
Second-order many-body perturbation theory: an eternal frontier.
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二阶多体微扰理论：永恒的前沿。
DOI：
10.1021/jp410587b
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
S. Y. Willow
中科院分区：
文献类型：
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作者：
S. Hirata;Xiao He;M. Hermes;S. Y. Willow
二阶多体微扰理论[MBPT（2）]是收敛于薛定谔方程精确解的一系列系统近似中排名最低的成员。它已经并将继续作为新近似、算法甚至理论的试验场。本文从瑞利-薛定谔微扰理论、基于Dyson方程的多体绿色函数理论以及相关的费曼-戈德斯通图等角度介绍了这一基本理论。它还解释了MBPT（2）的重要性质，如尺寸一致性，它描述色散相互作用的能力，以及金属中的发散。在此基础上，本文综述了近年来该理论的三个主要进展。它们是MBPT（2）的有限温度扩展和Kohn-Luttinger难题的解决，用Laplace变换表达式的Monte Carlo积分对MBPT（2）的相关和自能的随机估计，以及基于Dyson方程对非简谐振动零点能和跃迁频率的扩展。
Second-order many-body perturbation theory [MBPT(2)] is the lowest-ranked member of a systematic series of approximations convergent at the exact solutions of the Schrödinger equations. It has served and continues to serve as the testing ground for new approximations, algorithms, and even theories. This article introduces this basic theory from a variety of viewpoints including the Rayleigh-Schrödinger perturbation theory, the many-body Green's function theory based on the Dyson equation, and the related Feynman-Goldstone diagrams. It also explains the important properties of MBPT(2) such as size consistency, its ability to describe dispersion interactions, and divergence in metals. On this basis, this article surveys three major advances made recently by the authors to this theory. They are a finite-temperature extension of MBPT(2) and the resolution of the Kohn-Luttinger conundrum, a stochastic evaluation of the correlation and self-energies of MBPT(2) using the Monte Carlo integration of their Laplace-transformed expressions, and an extension to anharmonic vibrational zero-point energies and transition frequencies based on the Dyson equation.