The low-lying electronic states of LiC

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, X4Σ−, (1)2Δ, (1)2Σ+, and (2)2Π, are very ionic in character. The only bound-bound quartet transition in this energy range is (2)4Σ− − X4Σ− and Franck-Condon factors, Einstein A values, and lifetimes are reported for this transition.