A FULL CONFIGURATION-INTERACTION STUDY OF THE LOW-LYING STATES OF THEBH MOLECULE

A full configuration interaction study on the BH molecule is presented . The potential energy curves of 20 different electronic states have b een calculated correlating the four valence electrons. On the two most important states, i.e. the X-1 Sigma(+) and A(1) Pi states, a complet e study has been performed. This includes the effect of core electron correlation, estimated via truncated configuration interaction techniq ues. The dissociation energy of the molecule in the two states and the height of the predissociative barrier in the A(1) Pi state have been determined with basis sets of increasing quality.