LCAC-SW quantum scattering dynamic study on the ion-pair formation process

摘要

LCAC-SW method has been extended to study the reaction dynamics for ion-pair formation pro- cesses. M + N_2→M~+ +X~-_2 reaction system involves two potential energy surfaces, i.e., the covalence state (M + N_2)and the ionic state(M~+ + X~-_2)and their crossing effect. The working equations for calculating state- to-state probability have been derived based on the above two-state model. Satisfied results of collinear state-to- state probabilities for K + I_2→K~+ +I~-_2 ion-pair formation system have been obtained.