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Isotopic and vibrational-level dependence of H2 dissociation by electron impact

Liam H. Scarlett1,*, Dmitry V. Fursa1, Jack Knol1, Mark C. Zammit2, and Igor Bray1

  • 1Curtin Institute for Computation and Department of Physics and Astronomy, Curtin University, Perth, Western Australia 6102, Australia
  • 2Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

  • *liam.scarlett@postgrad.curtin.edu.au

Phys. Rev. A 103, L020801 – Published 19 February, 2021

DOI: https://doi.org/10.1103/PhysRevA.103.L020801

Abstract

The low-energy electron-impact dissociation of molecular hydrogen has been a source of disagreement between various calculations and measurements for decades. Excitation of the ground state of H2 into the dissociative b3Σu+ state is now well understood, with the most recent measurements being in excellent agreement with the molecular convergent close-coupling (MCCC) calculations of both integral and differential cross sections [Zawadzki et al., Phys. Rev. A 98, 062704 (2018)]. However, in the absence of similar measurements for vibrationally excited or isotopically substituted H2, cross sections for dissociation of these species must be determined by theory alone. We have identified large discrepancies between MCCC calculations and the recommended R-matrix cross sections for dissociation of vibrationally excited H2, D2, T2, HD, HT, and DT [Trevisan et al., Plasma Phys. Contr. Fusion 44 1263 (2002); Plasma Phys. Contr. Fusion 44, 2217 (2002)], with disagreement in both the isotope effect and dependence on initial vibrational level. Here we investigate the source of the discrepancies, and discuss the consequences for plasma models, which have incorporated the previously recommended data.

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