CALCULATION OF DOUBLE-WELL B-VIBRONIC STATES OF SRH

The X (1 2SIGMA+), A (1 2PI), B (2 2SIGMA+), and (1) 2DELTA electronic states of SrH are calculated. A small-core Hartree-Fock pseudopotenti al for the Sr atom is used together with a large molecular basis set, and extensive valence and core configuration interactions are done. Th e existence of a double-potential well for the B state, due to an avoi ded crossing between neutral and ionic configurations, is clearly show n. The dipole moment of this state as a function of the internuclear d istance varies greatly, and the vibrational energy levels show an irre gular progression. The Einstein coefficients for stimulated absorption for vibronic transitions among these four states are also calculated. This predicts irregular band intensities involving the B state. Spect roscopic data for the (1) 2DELTA state are found, too.