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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Detalles Bibliográficos
Autores principales: Nicholson, Donald M., Gao, C. Y., McDonnell, Marshall T., Sluss, Clifton C., Keffer, David J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7923074/
https://www.ncbi.nlm.nih.gov/pubmed/33671461
http://dx.doi.org/10.3390/e23020234

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7923074/
https://www.ncbi.nlm.nih.gov/pubmed/33671461
http://dx.doi.org/10.3390/e23020234

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