Abstract
Non-additivity in the energies of Li n Cl(n-1)+ ion clusters (n = 2→4) has been studied by means of ab initio SCF calculations. Four-body energies contribute less than 2 per cent to the total interaction energies, while in the only Li4Cl3+ structure considered the five-body energy is negligibly small. However three-body energies are not small but are similar in size to the non-coulomb two-body energies. We have investigated to what extent these non-additive effects can be explained in terms of a simple polarizable ion model.
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