中文摘要：

采用多组态准简并微扰理论对旋轨耦合作用下HF＋离子的基态 X2Πi和第一激发态A2Σ＋的性质进行了研究,得到了电子态X2Π3/2和2Π1/2的垂直跃迁能v[2Π1/2（v =0）→X2Π3/2（v =0）]=285.176 cm-1,以及电子态 X2Π3/2和2Π1/2的势能曲线；采用Murrell-Sorbie函数和最小二乘法拟合得到了这两个分裂电子态的解析势能函数；并在此基础上推导出了电子态X2Π3/2,2Π1/2和A2Σ＋的光谱常数,而且首次给出了分裂电子态X2Π3/2和2Π1/2的解析势能函数和光谱数据.

英文摘要：

The characteristics of ground state X2Πi and the first excited state A2Σ＋ of HF＋ under spin-orbit coupling are studied by using the multi-configuration quasi-degenerate perturbation theory. The vertical excited energy is v[2Π1/2 （v =0） → X2Π3/2 （v = 0）] = 285.176 cm-1, and the potential energy curves of the splitting electronic states X2Π3/2, 2Π1/2 of X2Πi are obtained. The analytical potential functions of these states are derived by employing the Murrell-Sorbie function （M-S） and the least-square fitting method, and then the spectroscopic constants for X2Π3/2, 2Π1/2 and A2Σ＋ are derived from the M-S function. All the spectroscopic data and the analytical potential functions for states X2Π3/2 and 2Π1/2 are given for the first time in our calculation.