Theoretical transition dipole moments and lifetimes for the <i>A</i> 1Σ+<i>u</i>→<i>X</i> Σ+<i>g</i> system of Na2

Abstract

Multiconfiguration self-consistent field (MCSCF) calculations have been carried out on the X 1Σ+g, A 1Σ+u, and B 1Πu states of Na2. The calculated potential energy curves are in good agreement with the experimental X and A RKR curves of Hessel and Kusch. Both the A→X and B→X transition moments have been calculated as a function of nuclear separation using MCSCF wavefunctions. These calculations are in excellent agreement with the recent experimental determinations of the B→X transition moment. A values and lifetimes of several A-state vibrational and rotational levels for the A→X transition have been calculated using the theoretical transition moment and the experimental potential curves of Hessel and Kusch. These again are in excellent agreement with the recently measured lifetimes.