The low-lying electronic states of LiC

Abstract

The spectroscopic constants for the doublet and quartet states of LiC below about 30000 cm −1 are determined using an internally contracted multireference configuration-interaction approach in conjunction with a [6s5p3d2f] atomic natural orbital basis sets. All of the strongly bound states, X 4 Σ −, (1) 2 Δ, (1) 2 Σ +, and (2) 2Π, are very ionic in character. The only bound-bound quartet transition in this energy range is (2) 4 Σ − − X 4 Σ − and Franck-Condon factors, Einstein A values, and lifetimes are reported for this transition.