Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions

Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions

We prove that, within the class of pair potential Hamiltonians, the excess entropy is a universal, temperature-independent functional of the density and pair correlation function. This result extends Henderson’s theorem, which states that the free energy is a temperature dependent functional of the...

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Bibliographic Details
Main Authors: Donald M. Nicholson, C. Y. Gao, Marshall T. McDonnell, Clifton C. Sluss, David J. Keffer
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Entropy
Subjects:
entropy
free energy
entropy functional
pair correlation function
pair distribution function
Online Access:https://www.mdpi.com/1099-4300/23/2/234

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https://www.mdpi.com/1099-4300/23/2/234

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