Abstract The semirigid vibrating rotor target (SVRT) model has been applied to the study of the reaction of D+CH$_4$→CH$_3$+HD using a time-dependent wave packet method. The energy dependence of the calculated reaction probability shows oscillatory structures similar to those observed in the abstraction reaction of H+H$_2$, H+CH$_4$ etc. We have also studied the influence of rotational and vibrational excitation of the reacting molecule (CH$_4$) on reaction probability. The excitation of the H－CH$_3$ stretching vibration gives significant enhancement of reaction probability, which rises significantly with the enhancement of rotational quantum number j. Finally, we have compared the cross section and the rate constant of the D+CH$_4$ system with that of the H+CH$_4$ system.
Received: 16 October 2003
Revised: 18 March 2004
Accepted manuscript online:
Fund: Project supported by the National Natural Science Foundation of China(Grant Nos 19874040 and 10174046).
Cite this article:
Liu Xin-Guo (刘新国), Zhang Qing-Gang (张庆刚), Zhang Yi-Ci (张怿慈), Wang Ming-Liang (王明良), John Zhang Zeng-Hui (张增辉) Time-dependent quantum dynamics study for reaction of D+CH4→CH3+HD 2004 Chinese Physics 13 1013
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