Low-energy electron collisions with BH+

BH+ ions are expected to play an important role in boron-containing plasmas relevant to fusion environments such as ITER, where low-energy electrons drive a variety of inelastic and reactive scattering processes. In particular, dissociative recombination, vibrational excitation, and de-excitation strongly influence the ion balance and energy distribution in such plasmas. We present a theoretical study of electron collisions with BH+ using a combination of ab initio electronic structure calculations and electron scattering methods. Potential energy curves for bound states of BH and BH+ are obtained using multireference configuration interaction, while autoionization widths of electronic resonant states are computed with the complex Kohn variational method. The collision dynamics is modeled within multichannel quantum defect theory, including both the "crossing"-i.e., Feshbach-resonances-mediated-and the "non-crossing"-i.e., Rydberg-mediated-mechanisms. Cross sections and thermal rate coefficients for the processes are provided for the lowest vibrational levels of BH+ and its isotopologues-BD+ and BT+-showing significant isotope effects, especially at low electron temperatures.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-10-14
DOI
https://doi.org/10.1063/5.0354874
Primary Topic
Atomic and Molecular Physics
Type
article
Field-Weighted Citation Impact
0.00

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article

Low-energy electron collisions with BH+

I. F. Schneider, Dávid Hvizdoš, Ann E. Orel, Åsa Larson et al.
The Journal of Chemical Physics
Atomic and Molecular Physics
article

Low-energy electron collisions with BH+

I. F. Schneider, Dávid Hvizdoš, Ann E. Orel, Åsa Larson, J. Zs. Mezei, R. Mezlini, F. Iffly
article en

Abstract

BH+ ions are expected to play an important role in boron-containing plasmas relevant to fusion environments such as ITER, where low-energy electrons drive a variety of inelastic and reactive scattering processes. In particular, dissociative recombination, vibrational excitation, and de-excitation strongly influence the ion balance and energy distribution in such plasmas. We present a theoretical study of electron collisions with BH+ using a combination of ab initio electronic structure calculations and electron scattering methods. Potential energy curves for bound states of BH and BH+ are obtained using multireference configuration interaction, while autoionization widths of electronic resonant states are computed with the complex Kohn variational method. The collision dynamics is modeled within multichannel quantum defect theory, including both the "crossing"-i.e., Feshbach-resonances-mediated-and the "non-crossing"-i.e., Rydberg-mediated-mechanisms. Cross sections and thermal rate coefficients for the processes are provided for the lowest vibrational levels of BH+ and its isotopologues-BD+ and BT+-showing significant isotope effects, especially at low electron temperatures.

The Journal of Chemical PhysicsVol. 165(14)
Centre National de la Recherche Scientifique (FR), Université Le Havre Normandie (FR), HUN-REN Institute for Nuclear Research (HU), AlbaNova (SE), Université de Rouen Normandie (FR), University of California, Davis (US)
Labex EMC3, European Cooperation in Science and Technology, Agence Nationale de la Recherche, Campus France, Région Normandie
Openalex Percentile: Top 20%
Atomic and Molecular Physics
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