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

作者：Banerjee Amartya; Pramanik Anup; Das Kalyan Kumar^*

来源：Chemical Physics Letters, 2006, 429(1-3): 62-67.

DOI：10.1016/j.cplett.2006.08.018

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 Lambda-S states have been constructed. spectroscopic constants (r(e), T-e, omega(e)) of 10 states are estimated and compared with the experimental and other theoretical values. The effects of d(10)(In)-electron correlation on the spectroscopic constants of the ground and a few low-lying A-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 A(3)Pi(0+)-X-1 Sigma(+)(0+), B-3 Pi(1)-X-1 Sigma(+)(0+), and C-1 Pi(1)-(XE0++)-E-1 are computed. The C-X transition is predicted to be the strongest of all. The lifetime of the C-1 Pi(1) state is about 2.3 ns at the lowest vibrational level. The computed electric dipole moments of X-1 Sigma(+)(0+), A(3)Pi(0+), B-3 Pi(1), and C-1 Pi(1) states of lnF are also reported.

• 出版日期2006-9-29