Radial distribution function for hard spheres

S. Bravo Yuste and A. Santos
Phys. Rev. A 43, 5418 – Published 1 May 1991
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Abstract

The radial distribution function g(r) provided by the solution of the Percus-Yevick (PY) equation for hard spheres is rederived in terms of the simplest Padé approximant of a function defined in the Laplace space that is consistent with the following physical requirements: g(r) is continuous for r>1, the isothermal compressibility is finite, and the zeroth- and first-order coefficients in the density expansion of g(r) must be exact. An explicit expression for the solution of the generalized mean-spherical approximation (GMSA) is obtained as a simple extension involving two new parameters, which are determined by imposing two conditions: (i) the virial and the compressibility routes to the equation of state agree consistently, and (ii) this equation of state coincides with that of Carnahan and Starling [J. Chem. Phys. 51, 635 (1969)]. The second- and third-order coefficients in the density expansion of g(r) given by the GMSA are compared with the exact ones and with those given by the PY equation.

  • Received 25 October 1990

DOI:https://doi.org/10.1103/PhysRevA.43.5418

©1991 American Physical Society

Authors & Affiliations

S. Bravo Yuste and A. Santos

  • Departamento de Física, Universidad de Extremadura, 06071 Badajoz, Spain

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Issue

Vol. 43, Iss. 10 — May 1991

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