Concepedia

Self-interaction Error

Self-Interaction Error is a systematic error in Density Functional Theory arising when an electron incorrectly interacts with itself due to the approximate exchange-correlation functional failing to cancel the spurious self-interaction present in the Hartree term.

256

Publications

27.8K

Citations

552

Authors

275

Institutions

Publications per year

2017–2026

87

Variants

Sie

Parents

Publications

256

Assessment of a long-range corrected hybrid functional

Oleg A. Vydrov, Gustavo E. Scuseria · The Journal of Chemical Physics · 2006 · 1.8K citations

, , +15

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

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

, , +17

Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation

John P. Perdew, Stefan Kurth, Aleš Zupan et al. · Physical Review Letters · 1999 · 882 citations

, , +16

Many-electron self-interaction error in approximate density functionals

Paula Mori‐Sánchez, Aron J. Cohen, Weitao Yang · The Journal of Chemical Physics · 2006 · 770 citations

, , +14

1–5 of 256

Authors

552

  1. JP
    John P. Perdew

    Tulane University, United States

    15 publications · 3.2K citations

    14

    h-index

  2. GE
    Gustavo E. Scuseria

    Rice University, United States

    14 publications · 4.7K citations

    14

    h-index

  3. TB
    Tunna Baruah

    The University of Texas at El Paso, United States

    11 publications · 400 citations

    11

    h-index

  4. AR
    Adrienn Ruzsinszky

    Tulane University, United States

    12 publications · 1.4K citations

    11

    h-index

  5. KA
    Koblar Alan Jackson

    Central Michigan University, United States

    12 publications · 413 citations

    11

    h-index

1–5 of 552

Institutions

275

  1. Centre National de la Recherche Scientifique

    Paris, France

    16 h-index

    41 publications

    3.4K citations

  2. Rice University

    Houston, United States

    15 h-index

    37 publications

    10.6K citations

  3. The University of Texas at El Paso

    El Paso, United States

    15 h-index

    51 publications

    1.7K citations

  4. Central Michigan University

    Mount Pleasant, United States

    14 h-index

    42 publications

    1.5K citations

  5. Temple University

    Philadelphia, United States

    11 h-index

    42 publications

    2.1K citations

  6. Tulane University

    New Orleans, United States

    11 h-index

    24 publications

    6.8K citations

  7. Lawrence Berkeley National Laboratory

    Berkeley, United States

    11 h-index

    22 publications

    6.4K citations

  8. École Polytechnique Fédérale de Lausanne

    Lausanne, Switzerland

    10 h-index

    18 publications

    982 citations

1–8 of 275

Venues

  1. The Journal of Chemical Physics

    81 publications · 11.6K citations

    44

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 24 publications · 1.5K citations

    18

    h-index

  3. Physical Chemistry Chemical Physics

    PCCP · 15 publications · 877 citations

    13

    h-index

  4. Physical Review Letters

    PRL · 12 publications · 2.2K citations

    12

    h-index

  5. The Journal of Physical Chemistry A

    13 publications · 1.9K citations

    11

    h-index

1–5