Multicanonical entropy like-solution of statistical temperature weighted histogram analysis method (ST-WHAM)

A multicanonical update relation for calculation of the microcanonical entropy \(S_{micro}(E)\) by means of the estimates of the inverse statistical temperature \(\beta_S\), is proposed. This inverse temperature is obtained from the recently proposed statistical temperature weighted histogram analys...

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Bibliographic Details
Published in:arXiv.org 2011-09
Main Authors: Rizzi, Leandro G, Alves, Nelson A
Format: Article
Language:English
Subjects:
Computer simulation
Entropy of solution
Histograms
Online Access:Get full text
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Summary:A multicanonical update relation for calculation of the microcanonical entropy \(S_{micro}(E)\) by means of the estimates of the inverse statistical temperature \(\beta_S\), is proposed. This inverse temperature is obtained from the recently proposed statistical temperature weighted histogram analysis method (ST-WHAM). The performance of ST-WHAM concerning the computation of \(S_{micro}(E)\) from canonical measures, in a model with strong free-energy barriers, is also discussed on the basis of comparison with the multicanonical simulation estimates.
ISSN:2331-8422
DOI:10.48550/arxiv.1109.5914