A comparison of some variational formulas for the free energy as applied to hard-sphere crystals

C. Daniel Barnes; David A. Kofke

doi:10.1063/1.1516592

A comparison of some variational formulas for the free energy as applied to hard-sphere crystals

C. Daniel Barnes
, David A. Kofke

Department of Chemical and Biological Engineering

SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

Variational methods used in conjunction with molecular simulation to provide quantities needed for their application are considered. Focus is on applications to hard-sphere systems. It is emphasized that a proper selection of the reference system is the key to the successful application of these variational methods.

Original language	English
Pages (from-to)	9111-9115
Number of pages	5
Journal	Journal of Chemical Physics
Volume	117
Issue number	20
DOIs	https://doi.org/10.1063/1.1516592
State	Published - Nov 22 2002

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abstract = "Variational methods used in conjunction with molecular simulation to provide quantities needed for their application are considered. Focus is on applications to hard-sphere systems. It is emphasized that a proper selection of the reference system is the key to the successful application of these variational methods.",

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A comparison of some variational formulas for the free energy as applied to hard-sphere crystals

Abstract

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