A state-dependent division scheme for the potential of simple fluids

被引：2

作者：

Bomont, JM ^{[1
]}

Bretonnet, JL ^{[1
]}

机构：

[1] Univ Metz, Lab Theorie Mat Condensee, F-57078 Metz 3, France

来源：

PHYSICS AND CHEMISTRY OF LIQUIDS | 2001年 / 39卷 / 01期

关键词：

bridge function; thermodynamic consistency;

D O I：

10.1080/00319100108030326

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：

A new division scheme for the pair potential into long-range and short-range parts is presented, which takes account of the dependence on the density and makes possible the extraction of the bridge function B(r) in the core region. The calculation of the correlation functions is carried out with the hybridized mean spherical approximation (HMSA). As attested by the comparison with the simulation results, HMSA used with this potential separation is suitable to produce accurate bridge function and pair correlation function for the Lennard-Jones fluid.

引用

页码：55 / 65

页数：11

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