Vibration transitions induced by a chemical reaction: a quantum model for the strong coupling region

Abstract

An approximate method is considered for the solution of coupled wave equations of chemical dynamics in curvilinear coordinates. For the matrix potentials a stepwise representation is adopted. Special matching conditions are derived, taking into account the first derivative term instead of treating it explicitly. The scattering matrix satisfies exactly the conditions of unitarity and symmetry, which allows constructing of simple models. The one-step model of the reaction zone is investigated in detail. It provides a simple description of a centrifugal effect generated by the curvature of the reaction path. An extension of the general method leads to a numerical procedure for the complete solution.