Three-dimensional quasiclassical trajectory study of the reaction He+H⁺₂→HeH⁺+H on an accurate ab initio potential-energy surface

Abstract

State-selected integral cross sections computed via the three-dimensional quasiclassical trajectory method using an accurate ab initio potential-energy surface are compared with the classic photoionization experimental results for different vibrational states and relative translational energies of the reactants for the reaction He+H⁺₂→HeH⁺+H. The agreement between theory and experiment is nearly quantitative.