Chemical Physics Letters, Vol.677, 92-98, 2017
Configuration interaction study of electronic structures of CdCl including spin-orbit coupling
Adiabatic potential energy curves (PECs) and the dipole moments (DMs) for the 14 low-lying Lambda-S states of CdCl were computed at configuration interaction method including Davidson correction (+Q). To quantitatively evaluate the spin-orbit coupling (SOC) effect, the SOC integrals involving the X-2 Sigma(+) and 2(2)Sigma(+) were investigated. The spectroscopic constants of 9 bound Lambda-S states and 4 lowest bound Omega states were derived. Moreover, the radiative lifetimes of the vibrational levels of bound states were predicted for the first time. Finally, the feasibility and challenges of laser cooling of CdCl were discussed based on a three laser cooling scheme. (C) 2017 Elsevier B.V. All rights reserved.