Fine Structure Investigation and Laser Cooling Study of the CdBr Molecule.

The ab initio calculations of the electronic structure of the low-lying electronic states of the CdBr molecule are characterized in the 2S+1Λ(+/-) and Ω(+/-) representations using the complete active-space self-consistent field (CASSCF) method, followed by the multireference configuration interaction (MRCI) method with Davidson correction (+Q). The potential energy curves are investigated, and spectroscopic parameters (Te, Re, ωe, Be, αe, μe, and De) of the bound states are determined and analyzed. In addition, the rovibrational constants (Ev, Bv, Dv, Rmin, and Rmax) are reported for the investigated states with and without spin-orbit coupling. The electronic transition dipole moment curve (TDMC) is obtained for the C2Π1/2 - X2Σ+1/2 transition. Based on these data, Franck-Condon factors (FCFs), Einstein coefficient of spontaneous emission Aν'ν, radiative lifetime τ, vibrational branching ratios, and the associated slowing distance are evaluated. The results indicated that CdBr is a promising candidate for direct laser cooling, and a feasible cooling scheme employing four pumping and repumping lasers in the ultraviolet region with suitable experimentally accessible parameters is presented. These findings provide practical guidance for experimental spectroscopists exploring ultracold diatomic molecules and their applications.