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He原子和BH分子碰撞体系的转动激发能量转移
Rotational excitation of He-BH collision system
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摘要: 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△j=2的激发作用较大；态一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＇≥3的激发截面几乎完全由各向异性的短程部分贡献；低能下，△j=1的激发较为有效，但较大能量则对△j=2的激发最为有效．Abstract: 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 forj = 0 →j＇ = 1 . Furthermore, it is of advantage for the △j = 1 transition at lower energy and for the △j = 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 forj = 0 →j＇ = 1 , and the cross sections for j＇ ≥ 3 are almost determined by the anisotropic short-rang partial.
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