The quantum scattering study for ion-pair formation reaction with LCAC-SW method

LCAC-SW method has been extended to study the reaction dynamics for ion-pai r formation processes. Mf X-2 -->M+ + X-2(-) reaction system involves two p otential energy surfaces, i.e., the covalence state(M+X-2) and the ionic st ate(M++X-2(-)) and their crossing effect, The working equations for calcula ting state-to-state probability have been derived based on the above two-st ate model, The selected-state reaction probabilities of collinear ion-pair formation process M+I-2 --> M+ +I-2(-) (M = Na, K, Cs) on Aten-Lanting-Los two-state potential energy surface have been calculated. The results show t hat the reaction probabilities are of resonance effect.