Ab initio configuration interaction study of the low-lying electronic states of InF

Electronic structure and spectroscopic properties of the low-lying electronic states of InF have been determined from the relativistic configuration interaction calculations. Potential energy curves of 18 K–S states have been constructed. spectroscopic constants (re, Te, xe) of 10 states are estimated and compared with the experimental and other theoretical values. The effects of d(In)-electron correlation on the spectroscopic constants of the ground and a few low-lying K–S states of InF have been explored. The spin–orbit coupling has also been included in the calculation. The radiative lifetimes for three important transitions such as AP0þ–X R0þ , B P1–X R0þ , and CP1–X 1Rþ 0þ are computed. The C–X transition is predicted to be the strongest of all. The lifetime of the C P1 state is about 2.3 ns at the lowest vibrational level. The computed electric dipole moments of X1Rþ 0þ , A 3P0þ , B P1, and C P1 states of InF are also reported. 2006 Elsevier B.V. All rights reserved.