Abstract

A recently proposed method to calculate first-order electrostatic as well as second-order induction and dispersion energies including charge-overlap effects for the interaction between two atoms each with one active electron is applied to the systems Li(2s) + Na(3s) and Na(3s) + Na(3s), giving the induction energy for both systems. The variation with R of the relative contribution of the overlapping and non-overlapping configuration space regions is discussed for the largest dispersion and induction terms.

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