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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 31, 1976 - Issue 4
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Original Articles

Cluster diagrammatic analysis of the RISM equation

Pages 1213-1223 | Received 27 Oct 1975, Published online: 23 Aug 2006
 

Abstract

The interaction site cluster theory and the method of topological reduction are applied to determine the infinite class of cluster diagrams summed by the reference interaction site model (RISM) integral equation. It is shown that, along with summing a subset of allowed cluster graphs for the site-site correlation functions of molecular fluids, the equation also sums classes of graphs which are unallowed in a rigorous theory. The relationship between the RISM equation for molecular fluids and the Percus-Yevick equation for simple atomic fluids is analysed diagrammatically.

Additional information

Notes on contributors

David Chandler

Alfred P. Sloan Foundation Fellow.

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