Theoretical study of the electronic states of the Rb-2 molecule

Abstract

We have calculated the electronic states of Rb-2 by multireference configuration interactions using the averaged relativistic effective small-core potential and the core-polarization potential. The potential energy curves for a large number of states dissociating into from 5s + 5s up to 7s + 5s asymptotic limits are calculated and the spectroscopic constants are reported. The spin-orbit effects for the states dissociating into 5p + 5s and 4d + 5s are calculated using the effective spin-orbit potential. The results are compared with available experimental data and other theoretical works. (C) 2001 Academic Press.