【摘要】 使用一阶Magnus数值传播积分法计算了超球坐标描述下的共线三原子反应散射问题。应用于共线H+H₂和F+H₂体系得到了较好的结果。更多还原

【Abstract】 Hyperspherical coordinates are employed in describing collinear triatomic reactive scattering. Close-coupling differential equations are obtained by radial piece-wise semi-adiabatic expansion, and solved by first-order Magnus numerical propagation method with multistep exchange-set and reorthogonalization procedures. Applicating to H+H₂ and F+H₂ systems, we obtained good results which are in accordance with results of other method for the same systems.更多还原