Topological effects for nonsymmetrical configurations: The C 2H2+ as a case study

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Abstract

During the last decade the study of topological effects formed by molecular systems became a routine but it was always carried out for configurations that were limited by symmetry conditions. To be more specific this applied to the Jahn-Teller (JT) effect formed by molecular configurations of planar symmetry [see, e.g., Baer, Faraday Discuss. 127, 337 (2004)] and the Renner-Teller effect formed by configurations of axial symmetry [see, e.g., Halász, J. Chem. Phys. 126, 154309 (2007)]. In this article we consider for the first time molecular configurations that avoid any symmetry conditions or, in other words, are characterized by the C1 point group. We report on a detailed study of topological effects formed by such a molecular system. The study concentrates on both, the two-state (Abelian) case and the multistate (non-Abelian) case. It is shown that the theory that was originally developed to treat topological effects due the JT intersection and also applies for the study of topological effects in the most general case. The study is accompanied with numerical results.

Original languageEnglish
Article number144108
JournalJournal of Chemical Physics
Volume127
Issue number14
DOIs
Publication statusPublished - 2007

ASJC Scopus subject areas

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

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