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Reactive scattering for D− + D2 (v = 0−1, j = 0−8): quantum and classical trajectory investigation

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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.

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Authors and Affiliations

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. China

    De-Quan Wang & Xu-Ri Huang

  2. Theoretische Chemie, Universität Siegen, 57068, Siegen, Germany

    De-Quan Wang & Ralph Jaquet

Authors
  1. De-Quan Wang
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  2. Ralph Jaquet
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  3. Xu-Ri Huang
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Correspondence to De-Quan Wang.

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Wang, DQ., Jaquet, R. & Huang, XR. Reactive scattering for D− + D2 (v = 0−1, j = 0−8): quantum and classical trajectory investigation. Eur. Phys. J. D 68, 233 (2014). https://doi.org/10.1140/epjd/e2014-50250-0

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