He-HF(DF,TF)碰撞体系分波截面的理论计算

Theoretical calculation of the partial cross section for He-HF (DF,TF) collision system

运用质心变换-拟合方法,使用Murrell-Sorbie势能函数拟合在对称性匹配微扰理论下精确计算He-HF体系的相互作用能数据,得到了He原子与同位素分子HF(DF,TF)复合物的相互作用势的解析形式.完成了入射He原子能量从30meV至120meV时,He-HF(DF,TF)碰撞体系分波截面的密耦计算,获得了分波截面等信息,进一步讨论了分波截面的变化趋势及特征,并确定了He-HF(DF,TF)碰撞体系开始产生弹性和非弹性散射的有效相互作用范围.

The interaction potentials of the He-HF（DF, TF） van der Waals complexes have been obtained by center of mass transformation and then employing Murrell-Sorbie potential function to fit the accurate interaction energy data, which have been computed at symmetry-adapted perturbation theory （SAPT） level. The close coupling calculation of the partial cross sections for collision of He with HF（ DF, TF） is performed by employing the fitted interaction potential. This calculation is performed for incident energies from 30 meV to 120 meV, and the information of the elastic, inelastic and total partial cross sections has been obtained. Further, the change tendency and character of the partial cross sections are discussed, and the ranges of effective interaction of the beginning of elastic and inelastic scattering have been determined for He-HF（DF, TF）collision system.