Topological effects for nonsymmetrical configurations: the C2H+2 as a case study.

Topological effects for nonsymmetrical configurations: the C2H+2 as a case study. Research Abstract Details 

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Topological effects for nonsymmetrical configurations: the C2H+2 as a case study. Abstract Text:

G J ,A ,M Baer,G J ,A ,M Baer,

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 et al., Faraday Discuss. 127, 337 (2004)] and the Renner-Teller effect formed by configurations of axial symmetry [see, e.g., Halasz et al., 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 C(1) 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.

Topological effects for nonsymmetrical configurations: the C2H+2 as a case study. Publishing Authors By Initials

GJ ,A ,M Baer,GJ ,A ,M Baer,

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Topological effects for nonsymmetrical configurations: the C2H+2 as a case study. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The Journal of chemical physics

VOLUME: 127

Page Numbers: 144108

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ISSN: 0021-9606

DAY: 14

MONTH: Oct

YEAR: 2007

Topological effects for nonsymmetrical configurations: the C2H+2 as a case study. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Topological effects for nonsymmetrical configurations: the C2H+2 as a case study.

AFFILIATION: Department of Information Technology, University of Debrecen, H-4010 Debrecen, Hungary.

Country: United States

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MEDLINETA: J Chem Phys

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