Spin-orbit calculations on the ground and excited electronic states of CdBr molecule

Abstract High-level configuration interaction method is used to calculate the 14 low-lying electronic states of CdBr. The spin-orbit coupling (SOC) effects are also taken into account. The potential energy curves (PECs) of the 14 Λ-S states, as well as those of 30 Ω states originating from those Λ-S states are determined. The spectroscopic constants of bound states are fitted based on the computed PECs, which agree well with previously available measurements. The predissociation of C 2 Π(ν′ ≥ 1)→B 2 Σ + is analyzed with the help of the SOC matrix elements. Finally, the lifetimes of vibrational levels ν′ = 0–5 of C 2 Π and B 2 Σ + states are calculated.