Theoretical radiative transition probabilities of the CS + ion

Abstract

The electronic transition moment functions for the A 2Π-X 2Σ +, B 2Σ +-X 2Σ +, B 2Σ +-A 2Π and C 2Δ-A 2Π transitions were calculated from highly correlated CASSCF CI electronic wavefunctions and used for the evaluation of the radiative lifetimes and absorption oscillator strengths. For the B 2Σ +, ν′=0 state the calculated lifetime of 364 ns is found to be in good agreement with the experimental value of 425 ± 25 ns. The variations of the radiative lifetimes with vibrational quantum number in the A, B and C states of CS + are predicted. These theoretical lifetimes are expected to be accurate w within about 20%. The dipole moment of the X 2Σ +, ν=0 state is calculated to be 0.509 ± 0.05 D. The radiative lifetimes of vibrational levels in the electronic ground state are also given. For the C 2Δ state spectroscopic constants are predicted.