Concepedia

Charge-transfer States

Charge-Transfer State is a type of molecular excited state characterized by a significant displacement of electron density from one subunit to another within a molecule or between adjacent molecules, distinguishing it from locally excited states by its long-range electronic redistribution.

3.4K

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199.2K

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12.1K

Authors

2.1K

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2017–2026

788

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Publications

3.4K

Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States:  The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

Andreas Dreuw, Martin Head‐Gordon · Journal of the American Chemical Society · 2004 · 1.8K citations

, , +17

Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

Andreas Dreuw, Jennifer L. Weisman, Martin Head‐Gordon · The Journal of Chemical Physics · 2003 · 1.6K citations

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Excitation energies in density functional theory: An evaluation and a diagnostic test

M J Peach, Peter Benfield, Trygve Helgaker et al. · The Journal of Chemical Physics · 2008 · 1.4K citations · Full text

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Density Functional for Spectroscopy:  No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States

Yan Zhao, Donald G. Truhlar · The Journal of Physical Chemistry A · 2006 · 1.3K citations

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Evidence for charge transfer in doped carbon nanotube bundles from Raman scattering

Apparao M. Rao, P. C. Eklund, Shunji Bandow et al. · Nature · 1997 · 1.3K citations

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Authors

12.1K

  1. DM
    Dirk M. Guldi

    Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany

    25 publications · 2.5K citations

    22

    h-index

  2. WR
    Wolfgang Rettig

    Humboldt-Universität zu Berlin, Germany

    27 publications · 1.2K citations

    20

    h-index

  3. KV
    Koen Vandewal

    Hasselt University, Belgium

    21 publications · 3.7K citations

    20

    h-index

  4. RH
    Richard H. Friend

    University of Cambridge, United Kingdom

    17 publications · 1.9K citations

    16

    h-index

  5. JB
    Jean‐Luc Brédas

    Georgia Institute of Technology, United States

    19 publications · 2.8K citations

    16

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Institutions

2.1K

  1. Centre National de la Recherche Scientifique

    Paris, France

    48 h-index

    520 publications

    27K citations

  2. Chinese Academy of Sciences

    Beijing, China

    39 h-index

    318 publications

    18K citations

  3. The University of Tokyo

    Tokyo, Japan

    30 h-index

    189 publications

    7.7K citations

  4. University of Cambridge

    Cambridge, United Kingdom

    27 h-index

    122 publications

    10.9K citations

  5. Kyoto University

    Kyoto, Japan

    26 h-index

    148 publications

    5.7K citations

  6. Jilin University

    Changchun, China

    26 h-index

    183 publications

    21.9K citations

  7. University of California, Berkeley

    Berkeley, United States

    25 h-index

    120 publications

    19.6K citations

  8. The University of Osaka

    Osaka, Japan

    24 h-index

    157 publications

    6K citations

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  1. Journal of the American Chemical Society

    JACS · 209 publications · 24.2K citations

    90

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  2. The Journal of Chemical Physics

    269 publications · 16.7K citations

    62

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  3. The Journal of Physical Chemistry A

    149 publications · 8K citations

    45

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  4. The Journal of Physical Chemistry C

    124 publications · 6.6K citations

    44

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  5. Inorganic Chemistry

    118 publications · 5.8K citations

    43

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