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Classical trajectory calculation for ion-pair formation in K+O2 collisions
Authors:G Parlant
Institution:

Laboratoire de Resonance Electronique et Ionique , Universite Paris-Sud, 91405 Orsay Cedex, France

Max Planck Institut für Strömungforschung, 34 Gottingen, West Germany

Laboratoire de Collisions Atomiques et Moléculaires (associé an CNRS), Université Paris-Sud, 91405 Orsay Cedex, France

Abstract:Three-dimensional trajectory surface hopping calculations were performed on two diabatic energy surfaces. The covalent surface describes the K(2S) + O2(3Σ?g) state and the ionic surface K+(1S) + O?2(2Πg). Transitions from one surface to another were computed through the Landau—Zener model. At small deflection angles, the energy loss distribution exhibits two peaks, as observed, due to O?2 in its electronic ground state and to vibrationally excited O?2.
Keywords:
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