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'≥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,Δj=1的激发较为有效,但较大能量则对Δj=2的激发最为有效.
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.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2011年第7期244-248,共5页
Acta Physica Sinica
基金
国家自然科学基金(批准号:10874001)
安徽省自然科学基金(批准号:070416236)
安徽省教育厅自然科学研究项目(批准号:KJ2010B366)
安徽师范大学自然科学研究项目(批准号:160-720857)资助的课题~~
