Electronic transition dipole moment functions and difference potentials for transitions among low-lying states of Li 2 and Na 2

Abstract

Electronic transition dipole moment functions based on ab initio multiconfiguration self-consistent field wavefunctions are computed for the transitions 1Σ u +- 1Σ g +, 3Σ g +- 3Σ u +, 1Π u - 1Σ g +, 3Π g - 3Σ u +, 1Σ u +- 1Π g , 3Σ g +- 3Π u , 1Π u - 1Π g , and 3Π g - 3Π u in Li 2 and Na 2. (In each case the states are the lowest lying of their symmetry.) We also calculate the matrix element 〈 3Σ u +| i( L x - iL y )| 3Π u 〉 for the predissociation of the 3Π u state by the 3Σ u + state. Several unobserved spectral features are predicted.