Abstract

A simple procedure is presented to estimate the interatomic correlation energy of a bond A-B on the basis of intrabond correlations of the homopolar parents A-A and B-B and the bond polarity of A-B. We use a local approach supplemented by a semiempirical mean-field Hamiltonian within the bond orbital approximation. The capability of the interpolation scheme is demonstrated for several molecules formed by main-group atoms.

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