RADIAL DISTRIBUTION FUNCTION FOR HARD SPHERES

被引:101
|
作者
YUSTE, SB
SANTOS, A
机构
[1] Departamento de Física, Universidad de Extremadura
来源
PHYSICAL REVIEW A | 1991年 / 43卷 / 10期
关键词
D O I
10.1103/PhysRevA.43.5418
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
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 Pade 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.
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页码:5418 / 5423
页数:6
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