New closure for the Ornstein-Zernike equation

A closure for the Ornstein-Zernike equation was proposed on the basis of an analysis of the properties of bridge functionals. The closure allows one t o calculate the two-particle distribution function g(r) of the Lennard-Jone s fluid with a relative error that does not exceed 1%-2% at all densities a nd temperatures. At the same time, the thermodynamic parameters of fluid in the same approximation are calculated with larger error. It has been shown that these facts are due to those additional errors that are entered by th e formulas establishing the linkage between g(r) and thermodynamic paramete rs. (C) 1999 American Institute of Physics. [S0021-9606(99)50907-0].