Calculation of the potential energy curves of the HgZn dimer

Potential energies for the ground and several excited states of the HgZn ex cimer molecule have been calculated in order to assist experimenters in ass igning the observed spectral bands. The CI-singles procedure, followed by a second-order Moller-Plesset perturbation theory correction were applied fo r the valence electrons. The core electrons were replaced by an effective-c ore potential. The effect of spin-orbit interaction was not investigated. T he calculated energy curves are compared with other available theoretical d ata, as well as with preliminary experimental assignments.