Interactional potential of helium atom and hydrogen halide molecules

作者：Wang Xiao-Lu; Linghu Rong-Feng; Song Xiao-Shu; Lue Bing; Yang Xiang-Dong^*

来源：Acta Physica Sinica, 2013, 62(16): 163101.

DOI：10.7498/aps.62.163101

• anisotropic potential
• close-coupling approximation
• differential scattering cross section

According to ab initio calculations, the differential scattering cross sections between He and HF, HCl, HBr are calculated and compared with experimental data. The results show that the calculation method can calculate comparatively accurate interactional potential. As halogen atom radius increases, at 0 degrees, the minimum of interactional potential shallows, the position of potential well moves into the distance, and anisotropic property becomes prominent, while at 180 degrees, the minimum of interactional potential depens, the position of potential well moves into the distance, and the isotropic property becomes obvious. The potential well depth under T structure is larger than that of linear structure. With the increases of halogen atoms radius, a more spherical symmetry is exhibited, and it can be seen obviously that contributions of radial coefficients V-0, V-1, V-2, V-3, ... decrease gradually, which is important to understand the study of excited state dynamics.

• 单位
  贵州师范大学; 贵州师范学院; 四川大学