An accurate algorithm for the computation of the radial distribution functions of hard spheres

We present a new algorithm for the calculation of the radial distribution functions of hard spheres in the Percus-Yevick approximation. This algorithm represents the radial distribution function as a piecewise Taylor series. The algorithm allows the generation of hard sphere correlation functions nu...

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Bibliographic Details
Published inFluid phase equilibria Vol. 48; pp. 23 - 30
Main Authors Perram, John W., Rasmussen, John
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 01.09.1989
Elsevier Science
Subjects
Exact sciences and technology
Physics
Statistical physics, thermodynamics, and nonlinear dynamical systems
Thermodynamics
Thermodynamics
Hard sphere model
Percus Yevick equation
Radial distribution function
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Summary:We present a new algorithm for the calculation of the radial distribution functions of hard spheres in the Percus-Yevick approximation. This algorithm represents the radial distribution function as a piecewise Taylor series. The algorithm allows the generation of hard sphere correlation functions numerically accurate to machine precision.
ISSN:0378-3812
1879-0224
DOI:10.1016/0378-3812(89)80191-8