A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn-Teller model

Roi Baer*, David M. Charutz, Ronnie Kosloff, Michael Baer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

137 Scopus citations

Abstract

Conical intersections between Born-Oppenheimer potential energy surfaces create singularities which are known to have a direct effect on the symmetry of the nuclear wave functions. In this article is presented a quasi-Jahn-Teller model to study the symmetry effects of these singularities on nonreactive and reactive scattering processes. Applying this model, we were able to determine in what way and to what extent the conical intersection affects the relevant S-matrix elements. Having the results of this study available, conclusions concerning more realistic systems were derived.

Original languageAmerican English
Pages (from-to)9141-9152
Number of pages12
JournalJournal of Chemical Physics
Volume105
Issue number20
DOIs
StatePublished - 1996

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