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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 76, 1992 - Issue 3
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Original Articles

Generalized virial expanisions II.

Efficient numerical algorithms for classical ionic systems

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Pages 757-773 | Received 13 Aug 1991, Accepted 17 Dec 1991, Published online: 23 Aug 2006
 

Abstract

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.

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