摘要
应用SVRT(Semirigid Vibrating Rotor Target)模型和含时波包法对H+CD4→HD+CD3反应体系进行了量子散射计算,得出了该体系基态的反应几率,散射截面和热速率常数等量子结果,并比较了靶分子氘代甲烷中氘对氢的替代效应。
In the paper, the SVRT model is applied to study the reaction of H + CD4→HD + CD3 using TDWP method In the study, reaction probability, total cross section and rate constant are calculated from the ground state of the reagent. The effect of substituting D For H has been studied for the reaction.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2005年第4期613-616,共4页
Journal of Atomic and Molecular Physics
关键词
SVRT模型
含时波包法
反应几率
Semirigid vibrating rotor target model, Time dependent wave packet, Reaction probability