Eur. Phys. J. D (2014) 68: 233
https://doi.org/10.1140/epjd/e2014-50250-0

Regular Article

Reactive scattering for D⁻ + D₂ (v = 0−1, j = 0−8): quantum and classical trajectory 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: Dequan_wang@jlu.edu.cn

Received: 26 March 2014
Received in final form: 19 May 2014
Published online: 14 August 2014

Abstract

Time-dependent and quasi-classical trajectory methods have been used to investigate state-to-state reaction probabilities, total reaction probabilities, integral reaction cross sections, and averaged effective cross section for the ion-neutral molecule collision D⁻ + D₂ (v = 0−1, j = 0−8). Three high level different ab initio potential energy surfaces are used.