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中文摘要：
用BFW势函数拟合在CCSD（T）／aug-ce-pVQZ理论水平下计算的He-HF相互作用能数据，获得了He原子与职分子相互作用的各向异性势。并与已知的势模型进行比较，验证了拟合势的可靠性；然后采用密耦方法计算了He-HF体系在不同碰撞能量下的分波散射截面，总结了分波散射截面的变化趋势．研究表明：①拟合势不但表达形式简洁，而且较好地描述了He-HF系统相互作用的各向异性特征．②入射粒子的能量越高，得到收敛的分波截面所需的分波数越多，量子效应越不显著。尾部效应也越弱；尾部效应但在低激发态中产生。高激发态不产生尾部效应．
英文摘要：
An anisotropie intermoleeular potential of the He- HF eomplex has been obtained by utilizing the BFW analytic function to fit the intermoleeular energy data, which have been ealeulated at the theoretieal level of the single and double excitation coupled-cluster method with noniteraetive perturbation treatment of triple excitation CCSD（T）. The reliability of the fitted potential has been verified by eomparing it with the ones that were familiar to us. Then the partial seattering cross sections for collisions between He atoms and HF molecules have been ealeulated by using Close-Coupling method. Finally, the trend governing the changes of the partial scattering cross sections has been given. This study displays that the fitted anisotropie intermolecular potential not only possesses the advantage of a simpler function form but also offers a better description of the characteristic of interaction in He- HF system. In addition, the higher energy of the incident particles is, the more convergent number of total partial cross sections is, the weaker quantum effect and tail effect are. And tail effect produces only in lower excitation states, it ean＇t take place in higher exciting states.
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