Abstract
Ab initio potential energy curves have been calculated for the ground and low-lying excited electronic states of SiH+ including the X1Σ+, A1Π, 11Δ, 21Σ+, 21Π, 31Σ+, 31Π, 21Δ, 41Σ+, a3Π, 13Σ−, 13Σ+, 23Π, 33Π, 23Σ−, 23Σ+, 33Π, 13Δ, 15Σ− and 15Π states. The calculations were carried out at the multi-reference configuration interaction level including the scalar-relativistic effects. The computed transition dipole moments were used to calculate Einstein A coefficients for the spin-allowed transitions and the lifetimes for bound vibrational levels of the excited states. In addition, spin-orbit calculations were carried out to compute radiative lifetimes for the spin-forbidden a3Π → X1Σ+ transition, and to predict local perturbations between the 23Π and 11Δ states due to off-diagonal spin-orbit matrix elements.
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