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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 72, 1991 - Issue 2
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Original Articles

On some properties of the hard-sphere radial distribution function

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Pages 307-313 | Received 30 Apr 1990, Accepted 01 Jun 1990, Published online: 22 Aug 2006
 

Abstract

We present closed-form expressions for derivatives at contact of the hard-sphere radial distribution function (RDF) in the Percus-Yevick theory. The derivatives of lower order coincide with well-known results. Corresponding expressions are also derived using the Verlet-Weis algorithm. These results are compared with values extracted from recent Monte Carlo data on the HS RDF and an accurate expression for the first-order derivative is given. Expressions for moments of the HS correlation function are also obtained in the Percus-Yevick theory. All of these quantities are useful in the perturbation theory of liquids.

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