Applications of Vibronic Coupling Density

HANDLE オープンアクセス
  • 佐藤, 徹
    Fukui Institute for Fundamental Chemistry, Kyoto University･Department of Molecular Engineering, Graduate School of Engineering, Kyoto University
  • Sato, Tohru
    Fukui Institute for Fundamental Chemistry, Kyoto University･Department of Molecular Engineering, Graduate School of Engineering, Kyoto University･Unit of Elements Strategy Initiative for Catalysts & Batteries, Kyoto University

抄録

Vibronic coupling is the interaction between vibrational and electronic motions. The local picture of a vibronic coupling can be expressed in terms of electronic and vibrational structures using vibronic coupling density (VCD). We describe the concepts of vibronic coupling constant (VCC) and VCD within the crude adiabatic approximation, and review their applications to the design of carrier-transporting and light-emitting molecules as well as to the reactivity index for chemical reactions.

XXIV International Symposium on the Jahn-Teller Effect, 24–29 June 2018, Santander, Spain.

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詳細情報 詳細情報について

  • CRID
    1050570796209818752
  • NII論文ID
    120006697644
  • ISSN
    17426588
  • HANDLE
    2433/236115
  • 本文言語コード
    en
  • 資料種別
    conference paper
  • データソース種別
    • IRDB
    • CiNii Articles

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