虚时关联函数和无相位辅助场量子蒙特卡罗。

Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo.

机构信息

Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano, Italy.

IOM-CNR DEMOCRITOS National Simulation Center and SISSA, via Bonomea 265, 34136 Trieste, Italy.

出版信息

J Chem Phys. 2014 Jan 14;140(2):024107. doi: 10.1063/1.4861227.

DOI:10.1063/1.4861227

PMID:24437865

Abstract

The phaseless Auxiliary Field Quantum Monte Carlo (AFQMC) method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we address the possibility of calculating imaginary time correlation functions with the phaseless AFQMC. We give a detailed description of the technique and test the quality of the results for static properties and imaginary time correlation functions against exact values for small systems.

摘要

无相位辅助场量子蒙特卡罗（AFQMC）方法为多费米子系统的基态能量的精确计算提供了一种成熟的近似方案。在这里，我们探讨了使用无相位 AFQMC 计算虚时间相关函数的可能性。我们详细描述了该技术，并针对小系统的静态性质和虚时间相关函数与精确值进行了比较，以检验结果的质量。