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Reactive collisions between electrons and BeH + above dissociation threshold.

Emerance DjuissiJeoffrey BoffelliRiyad HassaineNicolina PopVincenzo LaportaKalyan ChakrabartiMehdi AyouzArnaud BultelJános Zsolt MezeiIoan F Schneider
Published in: Physical chemistry chemical physics : PCCP (2024)
Our previous studies of dissociative recombination and vibrational excitation/de-excitation of the BeH + ion, based on the multichannel quantum defect theory, are extended to collision energies above the dissociation threshold, taking into account the vibrational continua of the BeH + ion and, consequently, its dissociative excitation. We have also significantly increased the number of dissociative states of 2 Π, 2 Σ + and 2 Δ symmetry included in our cross section calculations, generating the most excited ones by using appropriate scaling laws. Our results are suitable for modeling the kinetics of BeH + in edge fusion plasmas for collision energies up to 12 eV.
Keyphrases
  • energy transfer
  • density functional theory
  • molecular dynamics
  • quantum dots
  • molecular dynamics simulations
  • electron transfer
  • dna damage
  • oxidative stress