摘要
基于从头算的对称性为1A'的势能面,利用准经典轨线(QCT)方法在不同的碰撞能下研究了交换反应H+HS→HS+H的产物和反应物的矢量相关性质.在质心坐标系下分别计算了反应的描述k-j'矢量相关的P(θr)分布和描述k-k'-j'三者矢量相关的P(φr)分布.同时我们还计算了反应产物的四个极化微分截面.计算结果表明势阱和碰撞能对该反应产物的矢量相关具有重要影响.
The stereodynamics in the title reaction at different collision energies have been studied by the use of quasi -classical trajectory method (QCT) on an accurate 1A'potential energy surfaces. The distributions of vector correlations between products and reagents P (Or ) and P ( φr ) are presented and discussed. Furthermore, four polarization-dependent differential cross sections (PDDCS) of the product H2 are also calculated at different collision energies. The results demonstrate that the deep potential well and the collision energy display large effect on the product vector correlations.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2015年第1期102-107,共6页
Journal of Atomic and Molecular Physics
基金
国家自然科学基金(11204392
11047125)
重庆市教委自然科学基金(KJ1400920)
关键词
准经典轨线
矢量相关
H+HS
Quasiclassical trajectory
Vector correlations
H + HS reaction