Abstract: | The effects of the basis-set size on many-body energy expansion in LiF? clusters are investigated and correlated with previously reported values on LiCl? analogs. Coulomb and non-Coulomb energies in LiF? at different configurations are also examined. Although at the minimal STO -3G basis Vna(3, 4) and Vna(4, 4) nonadditivity terms were the smallest in the D3h configuration, they were the largest at the extended 6-311 ++G basis. V(m, n) terms where m = n ≥ 3 were found to be playing a small role in the chemistry and physics of LiF? clusters compared with V(3, n) terms in LiCl? clusters. |