摘要
运用半刚体振动转子靶 (semirigidvibratingrotortarget)模型 ,利用含时波包法 (TDWPmethod) ,对反应D +CD4→CD3 +D2 进行了量子含时动力学研究与计算。反应几率随平动能的变化图象 ,呈现出显著的量子共振特性。并通过对v =0时 ,j=0 ,1,2的反应几率以及 j=0时 ,v =0 ,1的反应几率的计算 ,对该反应的空间效应进行了研究与分析。
The semirigid vibrating rotor target (SVRT) model is applied to study the reaction of D+CD 4→CD 3+D 2 using time-dependent wave packet (TDWP) method. The energy dependence of the calculated reaction probability shows oscillatory structures, similar to those observed in the reactions H+H 2, H+CH 4 etc. Authors have also studied the influence of the reacting molecule (CD 4) on reaction probability. The excitation of the D-CD 3 stretching vibration gives significant enhancement of reaction probability. And the reaction probability rises significantly with the enhancement of rotational quantum number j .
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2003年第1期21-24,共4页
Journal of Atomic and Molecular Physics
基金
国家自然科学基金资助项目 (198740 40
10 1740 46)
