Eur. Phys. J. D (2013) 67: 259
https://doi.org/10.1140/epjd/e2013-40516-4

Regular Article

Reactive scattering for H⁺ + H₂: non-Born-Oppenheimer classical investigation

¹ State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, P.R. China
² Theoretische Chemie, Universität Siegen, 57068 Siegen, Germany

^a e-mail: Dequanwang@jlu.edu.cn

Received: 21 August 2013
Received in final form: 12 October 2013
Published online: 12 December 2013

Abstract

Using nonadiabatic and adiabatic classical trajectory methods, we investigate nonadiabatic effects in collision of H⁺ with H₂ for the collision energy in the range of 0.01 and 3.0 eV. Comparison with adiabatic calculations are used to give insight on the nonadiabatic charge transfer process.