Forward-backward semiclassical dynamics for systems of indistinguishable particles

Akira Nakayama, Nancy Makri

Research output: Contribution to journalArticlepeer-review

Abstract

Forward-backward semiclassical dynamics (FBSD) in conjunction with an accurate path integral (PI) description of the density operator provides an accurate, yet practical methodology for simulating important quantum mechanical effects in the dynamics of many-particle systems. In this paper we extend the FBSD methodology to systems of indistinguishable bosons or fermions. Test applications on model systems solvable by numerically exact basis set methods demonstrate that FBSD allows accurate descriptions of the dynamics in fluids characterized by quantum statistics. Specifically, the PI-FBSD methodology successfully captures the frequency shift and spectral narrowing associated with Bose-Einstein condensation. The methodology is also applied to a Lennard-Jones fluid of identical bosons.

Original languageEnglish (US)
Pages (from-to)147-158
Number of pages12
JournalChemical Physics
Volume304
Issue number1-2
DOIs
StatePublished - Sep 13 2004

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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