中文摘要：

H＋HLi体系仅含有5个电子，却有着复杂的化学性质．本文基于该体系的最新基态势能面，运用准经典轨线方法对H＋HLi反应进行了研究，重点计算了低碰撞能量与同位素效应对P（θr）、P（φr）以及极化微分反应截面等函数的影响．计算结果表明，低碰撞能量对H＋HLi体系沿不同路径发生反应时有着不同的影响；同位素效应会增强H＋HLi反应产物的定向程度；产物分子HH／HLi/DH／DLi有着丰富的散射特性．

英文摘要：

The LiH molecule plays an important role in the study of chemical properties of the early universe, and the H＋HLi system, which contains only 5 electrons, has abundant chemical properties. Based on the latest po- tential energy surface of the system, we explored the scalar and vector properties using the quasi-classical trajectory method aiming at studying the stereodynamics features of the reaction system. In this work, the product angular dis- tributions of P（ θr） and P（ φr ） are calculated and discussed. Furthermore, four polarization-dependent differential cross sections （PDDCSs）, namely, PDDCS00, PDDCS20,PDDCS21-and PDDCS22＋ are calculated as well. The calcu- lation results show that when H ＋ HLi reaction occurs along different paths, the collision energy have different effects. At the same time, isotope effect will enhance the degree of orientation of H ＋ HLi reaction products, and product molecule H2/HLi/DH/DLi has rich scattering characteristics.