关键词: 准经典轨线方法, 矢量相关, 极化微分反应截面, 转动量子数

Abstract:

        We employ quasiclassical trajectory (QCT) to investigate the effects of reagent rotational excitation on the stereo dynamics of the reaction H+HeH⁺→H⁺₂+He on the potential energy surface of Ramachandran. We also calculate the distributions of P（θ_r） (correlation of two vectors k-j′) and P(φ_r) (correlation of three vectors k-k′-j′).Results indicate that reagent rotational excitation has a considerable influence on the distribution of k-j′ correlation and kk′-j′ correlation.Rotational polarization of product H⁺₂ shows different characters for different rotational excitation and its polarization dependent differential cross sections (PDDCSs) are quite sensitive to its rotational quantum number j. Moreover, reagent rotational excitation has little influence on the crosssections.