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Vibronic Coupling Constant and Vibronic Coupling Density

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The Jahn-Teller Effect

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 97))

Abstract

The Jahn–Teller effect [7–9, 25] originates from vibronic coupling [19]. In this chapter, we discuss the definition of vibronic coupling with emphasis on its difference from non-adiabatic coupling. We present one of the methods for calculation of the vibronic coupling constant and vibronic coupling density analysis that enables us to investigate the local properties of vibronic coupling. Some applications of vibronic coupling density are presented. Vibronic couplings in fullerene ions still contain some unresolved problems as targets for the calculations. Studies on vibronic couplings in fullerene ions are reviewed.

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Acknowledgements

TS gratefully acknowledges Prof. Arnout Ceulemans and Prof. Liviu F. Chibotaru for valuable discussions on the dynamic Jahn-Teller problem and vibronic couplings in fullerene ions. Numerical calculation was partly performed in the Supercomputer Laboratory of Kyoto University and Research Center for Computational Science, Okazaki, Japan. This work was supported by Grant-in-Aid for Scientific Research (C) (20550163), Priority Areas “Molecular theory for real system” (20038028) from Japan Society for the Promotion of Science (JSPS), and the JSPS-FWO (Fonds voor Wetenschappelijk Onderzoek-Vlaanderen) Joint Research Project.

Author information

Authors and Affiliations

  1. Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto, Japan

    Tohru Sato

  2. Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto, 615-8510, Japan

    Tohru Sato, Naoya Iwahara, Katsuyuki Shizu & Kazuyoshi Tanaka

  3. Research and Development Center for Higher Education, Kyushu University, Ropponmatsu, Fukuoka, 810-8560, Japan

    Ken Tokunaga

Authors
  1. Tohru Sato
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  2. Ken Tokunaga
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  3. Naoya Iwahara
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  4. Katsuyuki Shizu
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  5. Kazuyoshi Tanaka
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Corresponding author

Correspondence to Tohru Sato .

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Editors and Affiliations

  1. LS für Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, Heidelberg, 69120, Germany

    Horst Köppel

  2. Dept. Chemistry, Johns Hopkins University, Baltimore, 21218, U.S.A.

    David R. Yarkony

  3. MPI für Festkörperforschung, Heisenbergstr. 1, Stuttgart, 70569, Germany

    Heinz Barentzen

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© 2009 Springer-Verlag Berlin Heidelberg

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Sato, T., Tokunaga, K., Iwahara, N., Shizu, K., Tanaka, K. (2009). Vibronic Coupling Constant and Vibronic Coupling Density. In: Köppel, H., Yarkony, D., Barentzen, H. (eds) The Jahn-Teller Effect. Springer Series in Chemical Physics, vol 97. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-03432-9_5

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