Quantum Gibbs ensemble Monte Carlo

TitleQuantum Gibbs ensemble Monte Carlo
Publication TypeJournal Article
Year of Publication2014
AuthorsFantoni, R, Moroni, S
JournalThe Journal of chemical physics
Volume141
ISSN0021-9606
Abstract

We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of He-4 in two dimensions. (C) 2014 AIP Publishing LLC.

DOI10.1063/1.4895974