原子与分子物理学报, 2003, 20 (1): 21, 网络出版: 2006-05-19
D＋CD4→CD3＋D2反应的量子含时动力学研究
Time-dependent quantum dynamics study for reaction D＋CD4→CD3＋D2
摘要
运用半刚体振动转子靶(semirigid vibrating rotor target)模型,利用含时波包法(TDWP method),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.
Abstract
The semirigid vibrating rotor target (SVRT) model is applied to study the reaction of D＋CD4→CD3＋D2 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 .
白丽华, 刘新国, 张怿慈, 张庆刚. D＋CD4→CD3＋D2反应的量子含时动力学研究[J]. 原子与分子物理学报, 2003, 20(1): 21. 白丽华, 刘新国, 张怿慈, 张庆刚. Time-dependent quantum dynamics study for reaction D＋CD4→CD3＋D2[J]. Journal of Atomic and Molecular Physics, 2003, 20(1): 21.
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