Ab initio study of the ground and excited states of the zinc sulfide diatomic system, ZnS

Abstract

The electronic structure of the ground and excited states of the ZnS species has been investigated by variational multireference and, in some cases, coupled-cluster techniques employing augmented basis sets of quintuple-ζ quality. Full potential energy curves are reported for 18 states. The nature of the bonding for the lowest electronic states is discussed in some detail.