The 19 Λ-S states and the low-lying Ω states of NaS molecule are computed by using the multireference configuration method (MRCI) including spin-orbit coupling (SOC), core-valence correlation (CV), scalar relativistic effects and Davidson (+Q) correction. The potential energy curves (PECs), spectroscopic constants and dipole moments are obtained. The predissociation mechanism of A²Σ⁺ is investigated in detail with aid of the SOC matrix elements. Finally, the transition properties of the NaS molecule including the Franck-Condon Factors (FCFs), transition dipole moments (TDMs), and the spontaneous radiative lifetimes of lower vibrational states are investigated. Our computational results will help to understand the spectroscopic and properties for further experimental studies of NaS.

NaS分子的19个Λ-S态和低位Ω态是使用多参考配置方法（MRCI）计算的，包括自旋轨道耦合（SOC），核价相关性（CV），标量相对论效应和Davidson（ + Q）校正。获得了势能曲线（PECs），光谱常数和偶极矩。A的预离解机构² Σ ⁺借助SOC矩阵元素详细研究。最后，研究了包括弗兰克-康登因子（FCF），跃迁偶极矩（TDM）和较低振动态的自发辐射寿命在内的NaS分子的跃迁特性。我们的计算结果将有助于理解NaS的光谱和性质，以进行进一步的实验研究。