Conical intersections in the H 2CN molecule induced by the distortion from its Renner-Teller arrangement

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3 Citations (Scopus)

Abstract

Conical intersections (CIs) play a key role in nonadiabatic events. It was revealed, that the Renner effect in polyatomics is accompanied by symmetry-allowed CIs. Numerical and analytical results have demonstrated that two aligned CIs are formed in the molecular plane of the slightly bent C 2H 2 + molecule. To some extent different results were obtained for the H 2CN molecule. In order to fully and satisfactorily clarify this problem we calculated for the first time the Berry (topological) phase in this molecule for a single CI.

Original languageEnglish
Pages (from-to)10-14
Number of pages5
JournalChemical Physics Letters
Volume533
DOIs
Publication statusPublished - Apr 23 2012

ASJC Scopus subject areas

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

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