Constant pressure path integral Gibbs ensemble Monte Carlo method

We present the implementation of a real-space constant pressure path integral Gibbs ensemble Monte Carlo (CP-PIGEMC) method for the simulation of one-component fluid consists of distinguishable quantum particles (henceforth referred to as Boltzmannons) in an external potential field at finite temper...

Full description

Bibliographic Details
Main Authors: Kowalczyk, Piotr, Gauden, P., Terzyk, A., Pantatosaki, E., Papadopoulos, G.
Format: Journal Article
Published: American Chemical Society 2013
Online Access:http://hdl.handle.net/20.500.11937/10730