Potential surface crossing in classical trajectory calculations: Application to collision-induced predissociation in electronically excited I2

B. Garetz, M. Rubinson, J. I. Steinfeld

Research output: Contribution to journalArticle

Abstract

Classical trajectory calculations of inelastic collisions involving electronically excited iodine molecules with rare-gas atoms have been extended to include the effects of potential surface crossing. Adiabatic potential surfaces were generated assuming an r-6 dependence of the energy splitting on the molecule-atom distance. Nonadiabatic transition probabilities were calculated using the Landau-Zener formula. The reduced-mass and final-state dependence of the calculated induced predissociation probabilities are in good agreement both with experiment and with earlier optical-model calculations.

Original languageEnglish (US)
Pages (from-to)120-124
Number of pages5
JournalChemical Physics Letters
Volume28
Issue number1
DOIs
StatePublished - Sep 1 1974

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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