ON SOME PROPERTIES OF THE HARD-SPHERE RADIAL-DISTRIBUTION FUNCTION

被引:6
作者
DELRIO, F
BENAVIDES, AL
机构
[1] Laboratories de Termodinamica, Universidad Autonoma Metropolitana, DF 04390
关键词
D O I
10.1080/00268979100100231
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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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页码:307 / 313
页数:7
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