Numerical calculation of Green's function and momentum distribution for spin-polarized fermions by path integral molecular dynamics

J Chem Phys. 2022 May 28;156(20):204117. doi: 10.1063/5.0093472.

Abstract

Most recently, path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of identical bosons and fermions by Hirshberg et al. In this work, we demonstrate that PIMD can be developed to calculate Green's function and extract momentum distributions for spin-polarized fermions. In particular, we show that the momentum distribution calculated by PIMD has potential applications to numerous quantum systems, e.g., ultracold fermionic atoms in optical lattices.