The explicitly correlated multireference configuration interaction method with the Davidson correction (MRCI-F12+Q) method is utilized to investigate the low-lying electronic states of SH⁺ with inclusion of spin-orbit coupling (SOC) effect. The potential energy curves (PECs) of 12 Λ−S states as well as those of the 25 Ω states generated from the Λ−S states under the SOC effect have been computed. The spectroscopic constants of the bound states are determined, which are in accordance with the available theoretical and experimental results. The transition dipole moments (TDMs), Franck−Condon factors (FCFs) and the radiative lifetimes of the selected transitions have been reported. At last, the SOC induced predissociation mechanisms of the A³Π state have been discussed based on our calculations.

利用显着相关的多参考构型相互作用方法和戴维森校正（MRCI-F12 + Q）方法，研究了自旋轨道耦合（SOC）效应引起的SH ⁺的低电子态。计算了12种Λ-S态的势能曲线（PEC）以及在SOC效应下由Λ-S态产生的25Ω态的势能曲线。确定结合态的光谱常数，这与可获得的理论和实验结果一致。过渡偶极矩（TDM），弗兰克-康登因子（FCF）和选定过渡的辐射寿命已有报道。最后，SOC诱导了A ^3的预解离机理根据我们的计算已经讨论了Π状态。