Interionic pair potentials in the alkali metal halides

Abstract
A generalised pair potential of the form (in reduced units)ϕ(r)= [graphic omitted] –ar–4–r–1 has been used to parametrise experimental data for gaseous alkali metal halide ion pairs. The repulsive term is found to be “harder” than is commonly used in semi-empirical effective pair potentials from crystal data. The derived values of a and computations of crystal properties, without the ar–4 term in the pairwise additivity approximation, accord with a simple polarisable ion model.

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