A survey of ab initio conical intersections for the H+H2 system

G. Halász, A. Vibók, Alexander M. Mebel, Michael Baer

Research output: Contribution to journalArticle

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Abstract

A survey of various conical inetrsections which govern potential transitions between the three lower electronic states for the H + H2 molecular system was presented and analysed. It was observed that the three electronic states, for a given fixed HH distance, form four conical intersections. The analysis showed that one of the four intersections was a D3hci and the other three were C2vcis.

Original languageEnglish
Pages (from-to)3052-3064
Number of pages13
JournalThe Journal of Chemical Physics
Volume118
Issue number7
DOIs
Publication statusPublished - Feb 15 2003

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Electronic states
intersections
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A survey of ab initio conical intersections for the H+H2 system. / Halász, G.; Vibók, A.; Mebel, Alexander M.; Baer, Michael.

In: The Journal of Chemical Physics, Vol. 118, No. 7, 15.02.2003, p. 3052-3064.

Research output: Contribution to journalArticle

Halász, G. ; Vibók, A. ; Mebel, Alexander M. ; Baer, Michael. / A survey of ab initio conical intersections for the H+H2 system. In: The Journal of Chemical Physics. 2003 ; Vol. 118, No. 7. pp. 3052-3064.
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