A QUANTUM SCATTERING THEORETICAL-STUDY ON THE REACTION CROSS-SECTIONSOF ION-PAIR FORMATION PROCESSES

In this paper Mille's S - matrix variational approach has been extende d to study the reaction dynamics for ion - pair formation processes. M + X-2 --> M+ + X-2(-) reaction system involves two potential energy s urfaces, i.e., the covalence state (M + X-2) and the ionic state (M+ X-2(-)) and their crossing effect. The working equations for calculat ing ion - pair formation cross section have been derivated based on th e above two - state model. The translational wavefunctions have been e xpanded by distributed Gaussian basis sets in calculation of matrix el ements. Satisfactory results of numerical calculations using S - matix variational approach for Cs + O-2 --> Cs+ + O-2(-) ion - pair formati on system have been obtained.