A general statistical theory was proposed for the calculation of the Gibbs energy of multi-component mixtures. The theory was based upon the assumptions of the quasi-chemical approximation and the unsymmetrized self-consistent field method. The effectiveness of the proposed theory was demonstrated by using it to determine the vacancy formation parameters for rare gas solids. The Lennard-Jones and Barker pair potentials were used for the calculations. Third-order triple-dipole forces were taken into account.

S.S.Soulayman, J.V.Zanchetta, J.C.Giuntini: Journal of Chemical Physics, 1995, 102[19], 7641-9