Pathintegral Monte Carlo study of particles obeying quantum mechanics and classical statistics
Abstract
Ultracold atomic systems have been of great research interest in the past, with more recent attention being paid to systems of mixed species. In this work, we carry out nonperturbative pathintegral Monte Carlo (PIMC) simulations of $$N$$ distinguishable particles at finite temperature, which can be thought of as an ultracold atomic system containing $$N$$ distinct species. We use the PIMC approach to calculate thermodynamic properties of particles interacting via hardsphere and hardcavity potentials. The first problem we study is a twoparticle system interacting via a hardsphere and hardcavity interaction in order to test the effectiveness of two approximations for the thermal density matrix corresponding to these potentials. We then apply the PIMC method to a system of many hardsphere particles under periodic boundary conditions at varying temperature in order to calculate the energy per particle, pressure, and specific heat of the system. We examine how finitesize effects impact the results of PIMC simulations of hardsphere particles and when the thermodynamic limit has been reached. Finally, our results provide microscopic benchmarks for a system containing distinguishable particles, which can be thought of as a limiting case for ultracold atomic systems of mixed species.
 Authors:

 Univ. of Guelph, ON (Canada). Dept. of Physics
 Publication Date:
 Research Org.:
 Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
 Sponsoring Org.:
 USDOE
 OSTI Identifier:
 1523837
 Resource Type:
 Accepted Manuscript
 Journal Name:
 Physical Review A
 Additional Journal Information:
 Journal Volume: 96; Journal Issue: 4; Journal ID: ISSN 24699926
 Publisher:
 American Physical Society (APS)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
Citation Formats
Dawkins, William G., and Gezerlis, Alexandros. Pathintegral Monte Carlo study of particles obeying quantum mechanics and classical statistics. United States: N. p., 2017.
Web. doi:10.1103/PhysRevA.96.043619.
Dawkins, William G., & Gezerlis, Alexandros. Pathintegral Monte Carlo study of particles obeying quantum mechanics and classical statistics. United States. https://doi.org/10.1103/PhysRevA.96.043619
Dawkins, William G., and Gezerlis, Alexandros. Wed .
"Pathintegral Monte Carlo study of particles obeying quantum mechanics and classical statistics". United States. https://doi.org/10.1103/PhysRevA.96.043619. https://www.osti.gov/servlets/purl/1523837.
@article{osti_1523837,
title = {Pathintegral Monte Carlo study of particles obeying quantum mechanics and classical statistics},
author = {Dawkins, William G. and Gezerlis, Alexandros},
abstractNote = {Ultracold atomic systems have been of great research interest in the past, with more recent attention being paid to systems of mixed species. In this work, we carry out nonperturbative pathintegral Monte Carlo (PIMC) simulations of $N$ distinguishable particles at finite temperature, which can be thought of as an ultracold atomic system containing $N$ distinct species. We use the PIMC approach to calculate thermodynamic properties of particles interacting via hardsphere and hardcavity potentials. The first problem we study is a twoparticle system interacting via a hardsphere and hardcavity interaction in order to test the effectiveness of two approximations for the thermal density matrix corresponding to these potentials. We then apply the PIMC method to a system of many hardsphere particles under periodic boundary conditions at varying temperature in order to calculate the energy per particle, pressure, and specific heat of the system. We examine how finitesize effects impact the results of PIMC simulations of hardsphere particles and when the thermodynamic limit has been reached. Finally, our results provide microscopic benchmarks for a system containing distinguishable particles, which can be thought of as a limiting case for ultracold atomic systems of mixed species.},
doi = {10.1103/PhysRevA.96.043619},
journal = {Physical Review A},
number = 4,
volume = 96,
place = {United States},
year = {2017},
month = {10}
}
Web of Science
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