氢化氙离子XeH+基态X1S+解析势能函数的变分研究

采用双原子分子离子XY+的能量自洽法(Energy-consistent -method for ion XY+, ECMI)研究了氢化氙离子XeH+基态X1S+的解析势能函数，并与解析形式的Morse势和Huxley- Murrell-Sorbie（HMS）势、耦合电子对方法(coupled electron pair approximation method, CEPA)的结果和基于实验的Rydberg-Klein-Ress（RKR）数据进行了比较。结果表明，由ECMI方法得到的解析势能函数ECMI势明显优于Morse势和HMS势，与理论方法的结果和RKR数据符合得很好，并能得到CEPA和RKR非法缺乏的离解区和渐近区的势能数据以及正确的离解极限，而正确的全程势能数据对研究各种散射问题都是非常必要的。

Variational studies on the analytical potential curve of XeH+ in ground state X1S+

Based on the energy-consistent -method for ion XY+ (ECMI), the analytical potential energy curves of diatomic molecular ion XeH+ in the ground state X1S+ are studied. The relative results are compared with the analytical Morse potential, Huxley-Murrell-Sorbie (HMS) potential, the data of coupled electron pair approximation method (CEPA) and the Rydberg-Klein-Ress (RKR) based on experiment. The results show that the analytical ECMI potential is superior to Morse potential, HMS potential, the ECMI potential is agreement with CEPA and RKR data. The correct potential energy data in full region are obtained, the correct theoretical CEPA and experimental RKR data are absence in the asymptotic and dissociation area, where the correct potential energy data are very important for the studies of scatting problems.