THEORETICAL INVESTIGATION ON THE GROUND AND LOW-LYING EXCITED ELECTRONIC STATES OF SH+ CATION AND ITS RADIATION LIFETIMES

Ab initio potential energy curves and dipole moments have been calculated for the 18 low-lying electronic states including eight triplet states: X3Σ−, A3Π, 13Δ, 23Σ−, 13Σ+, 23Π, 33Σ−, 33Π; nine singlet states: a1Δ, b1Σ−, c1Π, 11Σ+, 21Π, 21Δ, 21Σ+, 31Π, 31Σ+ and one quintet state 15Σ− of SH+ using the multireference configuration interaction method (MRCI) with large active space and basis sets. Accurate transition dipole moments have been computed from 0.3 to 8.0 Å, and were used to calculate average lifetimes of excited state vibrational levels. These transition dipole moments can be used to calculate the Einstein A coefficients for all rovibronic transitions of SH+ that might be appearing in stellar spectra. The potential energy curves are calculated for internuclear separations from about 0.3 to 30.0 Å by the multireference configuration interaction method.