An internally contracted multireference configuration interaction analysis of the SiO+ B2Σ+–X2Σ+ transition moment

The potential energy curves, equilibrium bond lengths, harmonic frequencies, first- and second-order anharmonicity constants, rotational constants, centrifugal distortion constants, rotation–vibrational and centrifugal coupling constants, dipole moments, excitation and dissociation energies for the X2Σ+ and B2Σ+ states of SiO+ have been calculated at the internally contracted multireference configuration interaction level with Dunningʹs correlation-consistent polarization valence quadruple zeta basis set. The electronic transition moment function for the B2Σ+–X2Σ+ transition and radiative lifetimes of the B2Σ+ (v″=0–10) states of SiO+ have been studied. Our spectroscopic constants and radiative lifetimes are in excellent agreement with experimental data.