An improved version of the S-matrix Kohn variational method has been applied to calculating 3D quantum reaction probabilities of the ion-molecular reaction He + H+2 (v → HeH+ + H. The calculation is carried out for total angular momentum J = 0 and employs the DIM potential surface of Kuntz. Our results show that vibrational excitation of H+2 enhances the reaction probabilities and are in qualitative agreement with early experimental results. The calculated reaction probabilities are found to be highly oscillatory as a function of scattering energy and are associated with resonance of the system.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry