Electronic transition dipole moment functions for transitions among the twenty-six lowest-lying states of Li2
1987; Elsevier BV; Volume: 122; Issue: 2 Linguagem: Inglês
10.1016/0022-2852(87)90006-3
ISSN1096-083X
AutoresLyn B. Ratcliff, James L. Fish, Daniel D. Konowalow,
Tópico(s)Inorganic Fluorides and Related Compounds
ResumoAb initio electronic transition dipole moment functions are calculated for all dipole-allowed transitions among the 26 states of Li2 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 11Σu+-11Σg+ and 11Πu-11Σg+ transition moments. The positions of a number of satellite bands are predicted from the potential energy difference curves.
Referência(s)