The electronic structure and spectroscopic properties of antimony hydride(SbH) have been investigated based on high-level ab initio calculations by utilizing the internally contracted multi-reference configuration interaction plus the Davidson correction(icMRCI+Q) method. The core-valence correlation (CV) and spin–orbit coupling (SOC) effect are considered. The potential energy curves of the 12 Λ-S states as well as the 25 Ω states that split from them via SOC effect are obtained. The spectroscopic constants of bound states are determined and well reproduced the results of the available experimental and theoretical studies. The SOC induced predissociation mechanisms of the A³Π state have been analyzed with the aid of the spin−orbit matrix element. The transition dipole moments, Franck-Condon factors, and the radiative lifetimes of the a2-X₂1 and b0⁺- X³Σ⁻ transitions have been reported. Our study is expected to be helpful for understanding the spectroscopy and dynamics of electronic states of the SbH molecule.

利用内部收缩的多参考构型相互作用加戴维森校正（icMRCI + Q）方法，基于高水平的从头算计算，研究了氢化锑（SbH）的电子结构和光谱性质。考虑了核心价相关性（CV）和自旋轨道耦合（SOC）效应。获得通过SOC效应从中分裂出的12个Λ-S状态和25Ω状态的势能曲线。确定束缚态的光谱常数，并很好地再现了可用的实验和理论研究的结果。SOC诱导的A ³预离解机制借助于自旋轨道矩阵元素已经分析了Π状态。的跃迁偶极矩，弗兰克- Condon因子，和的辐射寿命的一个2-X ₂ 1和b 0 ⁺ - X ³ Σ ^-过渡已经报道。预期我们的研究将有助于理解SbH分子的光谱和电子态动力学。