Path integral molecular dynamics simulations for Green's function in a system of identical bosons

Yunuo Xiong; Hongwei Xiong

doi:10.1063/5.0086118

Path integral molecular dynamics simulations for Green's function in a system of identical bosons

J Chem Phys. 2022 Apr 7;156(13):134112. doi: 10.1063/5.0086118.

Authors

Yunuo Xiong¹, Hongwei Xiong¹

Affiliation

¹ College of Science, Zhejiang University of Technology, Hangzhou 31023, China.

PMID: 35395900
DOI: 10.1063/5.0086118

Abstract

Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent study [Hirshberg et al., Proc. Natl. Acad. Sci. U. S. A. 116, 21445 (2019)]. In this work, we extend PIMD techniques to study Green's function for bosonic systems. We demonstrate that the development of the original PIMD method enables us to calculate Green's function and extract momentum distribution from our simulations. We also apply our method to systems of identical interacting bosons to study Berezinskii-Kosterlitz-Thouless transition around its critical temperature.