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

Results of a theoretical study of the electronic structure of all the molecular states of BaNa dissociating into the six lowest limits Ba+Na are reported. The method used involves effective pseudopotentials for Ba and for Na, a configuration interaction calculation for the three active electrons by the algorithm CIPSI and core polarization potentia ls for both atoms. Spectroscopic constants have been calculated for bo und states, all previously unstudied to the best of our knowledge.