Comparison between different reactions of group IV hydride with H  

作　　者：ZHANG Shaolong ZHANG Xuqiang ZHANG Qinggang ZHANG Yici 

机构地区：[1]College of Physics and Electronics, Shandong Normal University, Jinan 250014, China College of Physics and Electronics, Shandong Normal University, Jinan 250014, China College of Physics and Electronics, Shandong Normal University, Jinan 250014, China College of Physics and Electronics, Shandong Normal University, Jinan 250014, China

出　　处：《Science China(Physics,Mechanics & Astronomy)》2006年第4期496-504,共9页中国科学：物理学、力学、天文学（英文版）

基　　金：This work was supported in part by the National Natural Science Foundation of China (Grant Nos. 10174046, 10474060 and 10504017).

摘　　要：The four-dimensional time-dependent quantum dynamics calculations for reactions of group IV hydride with H are carried out by employing the semirigid vibrating rotor target model and the time-dependent wave packet method. The reaction possibility, cross section and rate constants for reactions (H+SiH_4 and H+GeH_4) in different initial vibrational and rotational states are obtained. The common feature for such kind of reaction process is summarized. The theoretical result is consistent with available measurement, which indicates the credibility of this theory and the potential energy surface.The four-dimensional time-dependent quantum dynamics calculations for reactions of group IV hydride with H are carried out by employing the semirigid vibrating rotor target model and the time-dependent wave packet method. The reaction possibility, cross section and rate constants for reactions (H+SiH_4 and H+GeH_4) in different initial vibrational and rotational states are obtained. The common feature for such kind of reaction process is summarized. The theoretical result is consistent with available measurement, which indicates the credibility of this theory and the potential energy surface.

关 键 词：SVRT mode  TIME-DEPENDENT wave packet  reaction probability  rate constant. 

分 类 号：N[自然科学总论]