Abstract
Ab initio potential energy curves (PECs) and transition dipole moments (TDMs) have been calculated for the X1Σ+, a3Π and A1Π states using the complete active space self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) method with the aug-cc-pV6Z basis set. Franck-Condon factors (FCFs), radiative lifetimes and oscillator strengths were calculated for A1Π (v′)→X1Σ+ (v″) vibronic transitions. In particular, the TDMs, radiative lifetimes and oscillator strengths f-values for a3Π0+ (v′)→X1Σ+ (v″) and a3Π1 (v′)→X1Σ+ (v″) transitions were calculated here for the first time. In addition, the probability of laser cooling of CH+ molecular ion was discussed.
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