Abstract
It is shown that the basic assumptions of the classical density functional approach are rigorously correct forH-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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Research supported in part by the National Science Foundation under grants PHY-8116101 A01 (J.T.C.), PHY-8301493 (L.C.) and PHY-8203669 (J.T.C. and L.C.).
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Chayes, J.T., Chayes, L. On the validity of the inverse conjecture in classical density functional theory. J Stat Phys 36, 471–488 (1984). https://doi.org/10.1007/BF01010992
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DOI: https://doi.org/10.1007/BF01010992