A path-sampling scheme for computing thermodynamic properties of a many-body system in a generalized ensemble
Author: Athénes, M.
Source: The European Physical Journal B - Condensed Matter, Volume 38, Number 4, April 2004 , pp. 651-663(13)
Abstract:We propose to compute the thermodynamic properties of many-body systems using a path-sampling Monte Carlo scheme implemented in a generalized path ensemble. Trial paths are generated through an expanded ensemble using a reversible discretization of Langevin’s equation of motion. We also show how the systematic errors resulting from the use of a finite time step can rigorously be taken into account in the path-sampling scheme. We find that the degree of convergence of the estimated thermodynamic quantity towards the exact value correlates with the mean acceptance rates of the path-sampling scheme. An application of the path method for simulating glassy systems is finally suggested.
Document Type: Research Article
Affiliations: Service de Recherches de Métallurgie Physique, Commissariat á l’énergie atomique-Saclay, 91191, Gif-sur-Yvette, France, Email: firstname.lastname@example.org
Publication date: 2004-04-01