On the validity of the inverse conjecture in classical density functional theory (Q1071414)
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| Language | Label | Description | Also known as |
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| English | On the validity of the inverse conjecture in classical density functional theory |
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On the validity of the inverse conjecture in classical density functional theory (English)
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1984
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It is shown that the basic assumptions of the classical density functional approach are rigorously correct for H-stable systems in the grand canonical ensemble. Moreover, it is established that the set of all single-particle densities is convex. These results are derived by providing necessary and sufficient conditions for the solution of the classical inverse problem for single- particle densities. Analogous results are obtained for the solution of the higher-order correlation inverse problem, and the ramifications of these results for the validity of two-body decomposition of forces are discussed.
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inverse problem
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density functional theory
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two-body decomposition
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grand canonical ensemble
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