Abinitiostudies of small sodiumndash;sodium halide clusters, NanClnand NanClnminus;1(nle;4)

摘要

The geometries, energetics, and some first and second order molecular properties (dipole moments, force constants, polarizabilities) of small stoichiometric (NaCl)nand nonstoichiometric (NanClnminus;1),nle;4 clusters were studied at the SCF and various correlated levels.