期刊
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL
卷 35, 期 19, 页码 4189-4199出版社
IOP PUBLISHING LTD
DOI: 10.1088/0305-4470/35/19/301
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We reconsider the density functional theory of nonuniform classical fluids from the point of view of convex analysis. From the observation that the logarithm of the grand-partition function log E[rho] is a convex functional of the external potential phi it is shown that the Kohn-Sham free energy A[rho] is a convex functional of the density rho. log Xi[phi] and A[rho] constitute a pair of Legendre transforms and each of these functionals can therefore be obtained as the solution of a variational principle. The convexity ensures the uniqueness of the solution in both cases. The variational principle which gives log Xi[phi] as the maximum of a functional of rho is precisely that considered in the density functional theory while the dual principle, which gives A[rho] as the maximum of a functional of phi, seems to be a new result.
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