Abstract
AbstractThis report contains a generalization of the usual lattice model of multicomponent systems. The generalization allows us to take into account the following factors: (i) the short‐range parts of interatomic repulsions; which are not identical for different pairs of atoms (therefore, it is impossible to take into account the repulsions by means of usual ideal lattice introduction); (ii) the long‐range interatomic potentials are taken into account by means of effective fields approximation; (iii) the existence of the vacancies as one of the components in the system; (iv) the existence of comparatively stable multi‐atomic complexes; and (v) some other factors due to specifics of constituents and their interactions, such as variable valence states and chemical reactions. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
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