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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 34, 1977 - Issue 6
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Original Articles

Monte Carlo calculation of y(r) for the hard-sphere fluid

G. Torrie Laboratoire de Physique Théorique et Hautes Energies, Université de Paris-Sûd, 91405, Orsay, FranceLaboratoire Associé au Centre National de la Recherche Scientifique.; Lash Miller Chemical Laboratories, University of Toronto, 80 St. George Street, Toronto, Ontario, Canada, M5S 1A1
&
G.N. Patey Laboratoire de Physique Théorique et Hautes Energies, Université de Paris-Sûd, 91405, Orsay, FranceLaboratoire Associé au Centre National de la Recherche Scientifique.; Division of Chemistry, National Research Council Canada, Ottawa, Canada, K1A OR6
Pages 1623-1628 | Received 14 Jun 1977, Published online: 22 Aug 2006
 
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Abstract

The function y(r) = exp {βu(r)}g(r) is calculated for hard spheres in the region r < σ using umbrella-sampling Monte Carlo techniques. The resulting values are found to be well represented over the entire range 0 < r < σ by a simple function proposed by Grundke and Henderson.

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