Generating functionals, consistency, and uniqueness in the integral equation theory of liquids

R. Fantoni; G. Pastore

doi:10.1063/1.1590642

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arXiv · cond-mat/0304449

Generating functionals, consistency, and uniqueness in the integral equation theory of liquids

R. Fantoni·G. Pastore

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Abstract

We discuss and illustrate through numerical examples the relations between generating functionals, thermodynamic consistency (in particular the virial-free energy one), and uniqueness of the solution, in the integral equation theory of liquids. We propose a new approach for deriving closures automatically satisfying such characteristics. Results from a first exploration of this program are presented and discussed.

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R. Fantoni, G. Pastore. 2003-04-20. Generating functionals, consistency, and uniqueness in the integral equation theory of liquids. https://doi.org/10.1063/1.1590642

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