Accurate potential energy and transition dipole moment curves for several electronic states of CO+

Abstract

Accurate calculations were performed for several doublet and quartet states of CO+ using the multireference configuration interaction method. With a single set of molecular orbitals the accurate transition dipole moments were evaluated. The calculated lifetimes of the vibronic states of the A 2Π and B 2Σ+ states were in excellent agreement with the available experimental data. The calculated vibrational spacings and rotational constants up to v=40 of the X 2Σ+ state were compared with the latest experimental data, and quantitative agreement was attained.