THEORETICAL-STUDY OF THE LOW-LYING ELECTRONIC STATES OF THE CALI MOLECULE

Results of a theoretical study on the electronic structure of all the molecular states of CaLi dissociating into the six lowest limits Ca+Li are reported. The method used involves effective pseudopotentials for Ca and Li, a configuration interaction calculation for the three vale nce electrons by the algorithm CIPSI and core polarization potentials for both atoms. Spectroscopic constants have been calculated for bound states, almost all previously unstudied.