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Название: Comments on the Variational Modified-Hypernetted-Chain Theory for Simple Fluids
Автор: Rosenfeld Y.
Аннотация:
Journal of Statistical Physics, Vol. 42, Nos. 3/4, 1986. p. 437-457.
The variational modified-hypernetted-chain (VMHNC) theory, based on the approximation of universality of the bridge functions, is reformulated. The new formulation includes recent calculations by Lado and by Lado, Foiles, and Ashcroft, as two stages in a systematic approach which is analyzed. A variational iterative procedure for solving the exact (diagrammatic) equations for the fluid structure which is formally identical to the VMHNC is described, featuring the theory of simple classical fluids as a one-iteration theory. An accurate method for calculating the pair structure for a given potential and for inverting structure factor data in order to obtain the potential and the thermodynamic functions, follows from our analysis.