三维H+H_2(v,j)→H_2(v′,j′)+H反应中复合态生成及产物转动态分布的量子散射理论研究

A Quantum Scattering Theoretical Study on the Compound-State Formation and the Rotational-State Distribution of the Product for the Three-Dimensional State-to-State H+H_2( v ,j)→H2(v',j' ) + H Reaction

用排列通道线性组合-散射波函数(LCAC-SW,linear combination of arrangement channels-scattering wavefunction)量子反应散射方法计算了H+H_2(v,j)→H_2(v’.j’)+H三维态-态反应几率,分析了反应体系的复合态生成(或能量共振结构),并由产物的转动态分布解释了能量共振的起源来自于平动态-内态之间的干涉效应.

This paper reports the three - dimensional state - to - state reaction probabilities for the H + H2(v,j)→H2( v' ,j') + H system calculated by LCAC-SW (linear combination of arrangement channels-scattering wavefunction) approach. The compound-state formation (or energy resonance structure) of this system is analyzed. The results of the rotational-state distribution for the product of this reaction show that the energy resonance is due to the interference effect between the translational motion of the system and the internal state of the reactant.