Theoretical treatment of charge transfer in collisions of C2+ ions with HF: Anisotropic and vibrational effect

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

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The charge transfer in collisions of C2+ ions with the HF molecule has been studied by means of ab initio quantum chemistry molecular methods followed by a semiclassical dynamical treatment in the keV collision energy range. The mechanism of the process, in particular its anisotropy, has been investigated in detail in connection with nonadiabatic interactions around avoided crossings between states involved in the reaction. The vibration of the molecular target has been analyzed and cross sections on different vibrational levels of HF+ have been estimated in the Franck-Condon approximation.

Original languageEnglish
Article number062711
JournalPhysical Review A
Volume81
Issue number6
DOIs
Publication statusPublished - Jun 25 2010

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charge transfer
collisions
quantum chemistry
ions
vibration
anisotropy
cross sections
approximation
molecules
interactions
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Theoretical treatment of charge transfer in collisions of C2+ ions with HF : Anisotropic and vibrational effect. / Rozsályi, E.; Bene, E.; Halász, G.; Vibók, A.; Bacchus-Montabonel, M. C.

In: Physical Review A, Vol. 81, No. 6, 062711, 25.06.2010.

Research output: Contribution to journalArticle

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