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

Gábor Halász, Ágnes Vibók, Alexander M. Mebel, Michael Baer

Research output: Contribution to journalReview article

42 Citations (Scopus)

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
JournalJournal of Chemical Physics
Volume118
Issue number7
DOIs
Publication statusPublished - Feb 15 2003

ASJC Scopus subject areas

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

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