Ab initio molecular treatment of charge transfer processes induced by collision of C2+ ions with the OH radical: A linear approach

E. Bene, A. Vibók, G. Halász, M. C. Bacchus-Montabonel

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

The charge transfer of C2+ ions in collision with the OH radical has been studied theoretically by means of ab initio quantum chemistry molecular methods followed by a semiclassical dynamical treatment. In this first step, only the linear approach has been investigated, taking account of the influence of the variation of the distance rOH of the target during the process. The total and partial cross-sections have been determined, and an evaluation of the cross-sections on the different vibration levels has been performed.

Original languageEnglish
Pages (from-to)159-163
Number of pages5
JournalChemical Physics Letters
Volume455
Issue number4-6
DOIs
Publication statusPublished - Apr 10 2008

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Quantum chemistry
Charge transfer
charge transfer
Ions
collisions
cross sections
quantum chemistry
ions
vibration
evaluation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Ab initio molecular treatment of charge transfer processes induced by collision of C2+ ions with the OH radical : A linear approach. / Bene, E.; Vibók, A.; Halász, G.; Bacchus-Montabonel, M. C.

In: Chemical Physics Letters, Vol. 455, No. 4-6, 10.04.2008, p. 159-163.

Research output: Contribution to journalArticle

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