采用Huxley势函数拟合QCISD(T)/aug-cc-pVTZ计算的相互作用势能面,通过精确度较高的密耦近似方法计算了E=100 meV时,氖原子的三种同位素^16Ne,^20Ne,^34Ne与HF分子碰撞系统的微分截面和分波截面.探讨了Ne的同位素替代引起的Ne-HF碰撞激发截面的变化规律.
In this paper,we use the Huxley potential function to fit the interaction energy data,which have been calculated at the theoretical level of the QCISD(T)/aug-cc-pVTZ.Differential and partial cross-sections of ^16Ne,^20Ne,^34Ne atoms and HF molecule collisions are calculated by the accurate close-coupling approximation method when the incident energy is 100meV.We study the changing tendencies of Ne-HF collisional cross-sections with Ne isotopic substitution.