论文信息 - Free energy functions in the extended RISM approximation

Free energy functions in the extended RISM approximation

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.

David Chandler | Sherwin J. Singer | S. J. Singer | D. Chandler

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