CALCULATION OF THE ELECTRONIC-SPECTRUM OF LI-2 USING EFFECTIVE CORE PSEUDOPOTENTIALS AND L-DEPENDENT CORE POLARIZATION POTENTIALS

Potential curves and spectroscopic constants for electronic states of the Li-2 molecule dissociating into 2s + 2s, 2s + 2p, 2s + 3s, 2p + 2p , 2s + 3p, and 2s + 3d atomic configurations (49 states) are obtained from CI calculations with electronic core potentials, including core p olarization effects. (C) 1995 Academic Press, Inc.