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

Abstract

Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent work (Hirshberg et al., PNAS, 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.

arXiv comment20 pages, 9 figure, accepted by The Journal of Chemical Physics

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Cited by in corpus (7)

• On the thermodynamic properties of fictitious identical particles and the application to fermion sign problem
• On the thermodynamics of fermions at any temperature based on parametrized partition function
• Quadratic scaling path integral molecular dynamics for fictitious identical particles and its application to fermion systems
• Path integral molecular dynamics for thermodynamics and Green's function of ultracold spinor bosons
• GPU acceleration of ab initio simulations of large-scale identical particles based on path integral molecular dynamics
• Revisiting the Fermion Sign Problem from the Structure of Lee-Yang Zeros. I. The Form of Partition Function for Indistinguishable Particles and Its Zeros at 0~K
• Periodic Boundary Conditions for Bosonic Path Integral Molecular Dynamics