Hybrid Monte Carlo method for condensed-matter systems

In this paper the static properties of the hybrid Monte Carlo algorithm are studied in the context of condensed-matter systems. The algorithm is used to simulate a Lennard-Jones liquid near the coexistence region. The hybrid Monte Carlo algorithm generates a canonical distribution in configuration s...

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Hauptverfasser: Mehlig, Bernhard (VerfasserIn) , Heermann, Dieter W. (VerfasserIn) , Forrest, Bruce M. (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 1 January 1992
In: Physical review. B, Condensed matter and materials physics
Year: 1992, Jahrgang: 45, Heft: 2, Pages: 679-685
ISSN:1550-235X
DOI:10.1103/PhysRevB.45.679
Online-Zugang:Verlag, Volltext: http://dx.doi.org/10.1103/PhysRevB.45.679
Verlag, Volltext: https://link.aps.org/doi/10.1103/PhysRevB.45.679
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Verfasserangaben:B. Mehlig, D.W. Heermann, and B.M. Forrest
Beschreibung
Zusammenfassung:In this paper the static properties of the hybrid Monte Carlo algorithm are studied in the context of condensed-matter systems. The algorithm is used to simulate a Lennard-Jones liquid near the coexistence region. The hybrid Monte Carlo algorithm generates a canonical distribution in configuration space, permitting the application of the Ferrenberg-Swendsen extrapolation scheme. Moreover, it is an exact algorithm: The configurational averages prove to be independent of the step size, and the algorithm does not suffer from numerical instabilities due to finite step size.
Beschreibung:Gesehen am 22.08.2017
Beschreibung:Online Resource
ISSN:1550-235X
DOI:10.1103/PhysRevB.45.679