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- W2893701645 abstract "Abstract Ab initio potential energy curves have been calculated for the ground and low-lying excited electronic states of SiH + including the X 1 Σ + , A 1 Π, 1 1 Δ, 2 1 Σ + , 2 1 Π, 3 1 Σ + , 3 1 Π, 2 1 Δ, 4 1 Σ + , a 3 Π, 1 3 Σ − , 1 3 Σ + , 2 3 Π, 3 3 Π, 2 3 Σ − , 2 3 Σ + , 3 3 Π, 1 3 Δ, 1 5 Σ − and 1 5 Π 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 a 3 Π → X 1 Σ + transition, and to predict local perturbations between the 2 3 Π and 1 1 Δ states due to off-diagonal spin-orbit matrix elements." @default.
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- W2893701645 date "2018-12-01" @default.
- W2893701645 modified "2023-09-24" @default.
- W2893701645 title "Ab initio calculations on low-lying electronic states of SiH+" @default.
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- W2893701645 doi "https://doi.org/10.1016/j.jqsrt.2018.09.018" @default.
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