Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo

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

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.