A path integral centroid molecular dynamics method for Bose and Fermi statistics

Citation
K. Kinugawa et al., A path integral centroid molecular dynamics method for Bose and Fermi statistics, J MOL LIQ, 90(1-3), 2001, pp. 11-20
Citations number
37
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR LIQUIDS
ISSN journal
01677322 → ACNP
Volume
90
Issue
1-3
Year of publication
2001
Pages
11 - 20
Database
ISI
SICI code
0167-7322(200102)90:1-3<11:APICMD>2.0.ZU;2-2
Abstract
We propose a path integral centroid molecular dynamics (CMD) method extende d to Bose and Fermi statistics. An extended method of path integral molecul ar dynamics (PIMD) for such statistics is also developed as a technique of calculations of static properties. Bose PIMD and CMD simulations have been performed for bulk liquid He-4 and ideal Bose gas, respectively. The remnan t of lambda transition is observed for bulk liquid He-4, while the effect o f Bose statistics on the centroid dynamics spanning several nanoseconds is observed for ideal Bose gas. (C) 2001 Elsevier Science B.V. All rights rese rved.