He原子和BH分子碰撞体系的转动激发能量转移

在碰撞体系He+BH的CCSD(T)二维势能面基础上,应用密耦方法,研究了 He+BH分子碰撞转动激发过程.计算了该体系的转动态-态激发的弹性和非弹性的微分和积分截面,分析了计算结果与势能面特征间的关系.结果表明: He原子以从H原子端共线形式碰撞BH分子对j=0→j'=2的激发最为有效;短程排斥对Δj=2的激发作用较大;态-态跃迁总截面出现振荡结构,长程部分分波只对j=0→j'=1的跃迁总截面有较大贡献,j'≥ 关键词： He+BH体系 转动激发 散射截面

Rotational excitation of He-BH collision system

The dynamics for the collision of BH with He is investigated based on the CCSD(T) potential energy surface. State-to-state differential, partial and integral cross sections are calculated for the first time. The effects of the long-range attractive and the short-range anisotropic interactions on inelastic scattering dynamics are also discussed in detail. As a result, the nearly-linear collision of He atom from H atom side with the BH molecules is the most effective manner for j=0→j'=1.Furthermore, it is of advantage for the Δj=1 transition at lower energy and for the Δj=2 transition at higher energy. The state-to-state integral cross section displays a pronounced oscillatory structure. The long-range partial cross section has only an effect on the integral cross section for j=0→j'=1, and the cross sections for j'≥3 are almost determined by the anisotropic short-rang partial.