Concepedia

Born-oppenheimer Approximation

The Born-Oppenheimer Approximation is a quantum-mechanical approximation in molecular physics and quantum chemistry that treats electronic and nuclear motions as separable by exploiting the large mass difference between nuclei and electrons, thereby allowing the molecular wavefunction to be factorized into electronic and nuclear parts with the electronic problem solved for fixed nuclear positions.

2.4K

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155.6K

Citations

4.2K

Authors

1.2K

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Publications per year

2017–2026

236

Variants

Born Oppenheimer ApproximationBorn-oppenheimer Adiabatic Approximation

Parents

Children

Publications

2.4K

Relativistic total energy using regular approximations

Erik van Lenthe, Evert Jan Baerends, J. G. Snijders · The Journal of Chemical Physics · 1994 · 3.3K citations

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Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

Evert Jan Baerends, D. E. Ellis, P. Ros · Chemical Physics · 1973 · 3.2K citations

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Auxiliary basis sets to approximate Coulomb potentials

Karin Eichkorn, Oliver Treutler, Holger Öhm et al. · Chemical Physics Letters · 1995 · 2.9K citations

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GRASP: A general-purpose relativistic atomic structure program

K G Dyall, I. P. Grant, C. T. Johnson et al. · Computer Physics Communications · 1989 · 1.5K citations

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Breakdown of the adiabatic Born–Oppenheimer approximation in graphene

Simone Pisana, Michele Lazzeri, Cinzia Casiraghi et al. · Nature Materials · 2007 · 1.4K citations · Full text

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Authors

4.2K

  1. LA
    Ludwik Adamowicz

    University of Arizona, United States

    42 publications · 1.6K citations

    24

    h-index

  2. DG
    Donald G. Truhlar

    University of Minnesota, United States

    24 publications · 3.7K citations

    21

    h-index

  3. SB
    Sergiy Bubin

    University of Arizona, United States

    27 publications · 950 citations

    20

    h-index

  4. AM
    Anders M. N. Niklasson

    Los Alamos National Laboratory, United States

    18 publications · 1.1K citations

    17

    h-index

  5. SA
    Satrajit Adhikari

    Indian Association for the Cultivation of Science, India

    19 publications · 853 citations

    17

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1–5 of 4.2K

Institutions

1.2K

  1. Centre National de la Recherche Scientifique

    Paris, France

    32 h-index

    159 publications

    9.6K citations

  2. Los Alamos National Laboratory

    Los Alamos, United States

    31 h-index

    82 publications

    5.1K citations

  3. Eötvös Loránd University

    Budapest, Hungary

    25 h-index

    62 publications

    6.4K citations

  4. University of Arizona

    Tucson, United States

    25 h-index

    95 publications

    4.2K citations

  5. University of Minnesota

    Minneapolis, United States

    25 h-index

    85 publications

    9.3K citations

  6. University of California, Berkeley

    Berkeley, United States

    23 h-index

    68 publications

    6.4K citations

  7. University College London

    London, United Kingdom

    23 h-index

    63 publications

    4.8K citations

  8. California Institute of Technology

    Pasadena, United States

    21 h-index

    48 publications

    3.7K citations

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Venues

  1. The Journal of Chemical Physics

    479 publications · 38.7K citations

    92

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  2. Chemical Physics Letters

    219 publications · 16.8K citations

    55

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  3. Physical Review Letters

    PRL · 58 publications · 4.8K citations

    37

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  4. Physical review. A, General physics

    79 publications · 3.8K citations

    36

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  5. Physical Review

    55 publications · 5.7K citations

    35

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