Electronic transition dipole moment functions for transitions among the twenty-six lowest-lying states of Li 2

Abstract

Ab initio electronic transition dipole moment functions are calculated for all dipole-allowed transitions among the 26 states of Li 2 treated by D. D. Konowalow and J. L. Fish ( Chem. Phys. 77, 435–448 (1983); Chem. Phys. 84, 463–475 (1984)). Many of the moments exhibit interesting behavior due to charge transfer or ion pair character. Comparisons are made with existing empirical and theoretical determinations of the 1 1Σ u +-1 1Σ g + and 1 1Π u -1 1Σ g + transition moments. The positions of a number of satellite bands are predicted from the potential energy difference curves.