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Optimized theory for simple and molecular fluids

An optimized closure approximation for both simple and molecular fluids is presented. A smooth interpolation between Perkus-Yevick and hypernetted chain closures is optimized by minimizing the free energy self-consistently with respect to the interpolation parameter(s). The molecular version is deri...

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Main Authors: Marucho, M., Pettitt, B. Montgomery
格式: Artigo
語言:Inglês
出版: 2007
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2583233/
https://ncbi.nlm.nih.gov/pubmed/17411108
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2711205
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