GENERALIZED VIRIAL EXPANSIONS .2. EFFICIENT NUMERICAL ALGORITHMS FOR CLASSICAL IONIC SYSTEMS

被引:8
作者
KRIENKE, H
THAMM, R
机构
[1] UNIV ROSTOCK,FACHBEREICH PHYS,O-2500 ROSTOCK,GERMANY
[2] UNIV LEIPZIG,FACHBEREICH PHYS,O-7000 LEIPZIG,GERMANY
关键词
D O I
10.1080/00268979200101651
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
The generalized cluster expansions for spatial two-particle correlation functions developed by Golovko and Krienke allow one to combine perturbation theory with analytical and numerical solutions of nonlinear integral equations. In this paper the numerical algorithms for solving the proposed integral equations are presented. The method is used to study structural and thermodynamical properties of charged hard and soft spheres and charged Lennard-Jones systems as well as mixtures of charged and neutral particles with the same short range reference interactions.
引用
收藏
页码:757 / 773
页数:17
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