A new accurate (time-independent) method for treating reactive collisions: conversion of a scattering problem into a bound problem

Abstract

This work describes a new (time-independent) approach to the study of atom–diatom reactive collisions in the collinear case and in three dimensions. The method is based on the idea of converting a reactive multi-arrangement problem into an inelastic single-arrangement problem. This conversion is done by applying optical potentials which are located at all exits of the reagents arrangement. The reactive transition probabilities are calculated applying flux formulae. The method is reminiscent of a previous time-dependent method that was successfully applied for both collinear and three-dimensional reactive collisions.