Abinitio configuration interaction calculations of ground state and lower excited states of Zn2 using optimized Slater-type wavefunctions

Abstract

Potential-energy curves for the ground state and lower excited states of the Zn ₂ dimer have been calculated. They are obtained using the MRDCI procedure and employing Slater basis sets, previously optimized at the SCF level for excited states of the Zn atom. The spectroscopic constants and excitation energies for the bound states of Zn ₂ have been compared with experimental as well as other theoretical results.