Free energy functions in the extended RISM approximation
- 20 June 1985
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 55 (3) , 621-625
- https://doi.org/10.1080/00268978500101591
Abstract
It is shown that the free energies associated with the solutions of extended RISM integral equations can be obtained in closed form thus avoiding the necessity of numerical coupling parameter integrations. In addition, variational principles are deduced which provide a basis for efficient algorithms to solve extended RISM integral equations.Keywords
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