AB-INITIO STUDY OF (NACL)(N)NA+ CLUSTERS

(NaCl)(n)Na+ clusters whit n up to 15 have been studied using the ab i nitio Perturbed-Ion model, which is based on the Hartree-Fock method a nd the Theory of Electronic Separability. The energetics and structura l properties are discussed in detail in the size range n less than or equal to 10. Even for those small sizes, a certain tendency to form fr agments of the rock-salt lattice is evident, although the excess repul sion of the cations induces distortions. We have also studied the addi tion and the removal of one or two NaCl molecules to (or from) (NaCl)( 13)Na+.