AB initio interaction polarizabilities and pair potentials for the ion pairs Li+…Br−, Na+…Br−, K+…Br− and Br−

Abstract

Pair potentials and polarizabilities of LiBr, NaBr, KBr and Br₂²⁻ have been computed over a range of internuclear separations R using the gaussian orbital SCF-MO method. Together with results previously reported for all other ion pairs, the present values form a complete and consistent set of energy and polarizability data on the bromides of lithium, sodium and potassium.