Theoretical Study of the Electronic States of the Rb(2) Molecule.
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. Copyright 2001 Academic Press.
Park
Su Jin
SJ
Department of Chemistry and School of Molecular Science (BK21), Korea Advanced Institute of Science and Technology, Taejon, 305-701, South Korea
Suh
Sung Won
SW
Lee
Yoon Sup
YS
Jeung
Gwang-Hi
GH