Concepedia

Electronic Structure Corrections

Electronic Structure Corrections is a theoretical framework that accounts for deviations from the Born-Oppenheimer approximation by incorporating non-adiabatic effects into the electronic Hamiltonian to improve the accuracy of molecular energy predictions.

1.3K

Publications

184.1K

Citations

2.6K

Authors

847

Institutions

Publications per year

2017–2026

237

Parents

Publications

1.3K

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

James J. P. Stewart · Journal of Molecular Modeling · 2007 · 3.7K citations · Full text

, , +9

Gaussian-2 theory for molecular energies of first- and second-row compounds

Larry A. Curtiss, Krishnan Raghavachari, Gary W. Trucks et al. · The Journal of Chemical Physics · 1991 · 3.4K citations

, , +14

Quantum electrodynamical corrections to the fine structure of helium

Marvin Douglas, N. Kroll · Annals of Physics · 1974 · 2.9K citations

, , +10

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern et al. · The Journal of Chemical Physics · 1998 · 2.9K citations

, , +10

1–5 of 1.3K

Authors

2.6K

  1. SG
    Stefan Grimme

    University of Bonn, Germany

    20 publications · 64.3K citations

    19

    h-index

  2. DA
    David A. Dixon

    University of Alabama, United States

    18 publications · 1.7K citations

    17

    h-index

  3. JP
    John P. Perdew

    Tulane University, United States

    14 publications · 1.5K citations

    14

    h-index

  4. JM
    John M. Herbert

    The Ohio State University, United States

    13 publications · 841 citations

    13

    h-index

  5. MH
    Martin Head‐Gordon

    University of California, Berkeley, United States

    13 publications · 1.4K citations

    13

    h-index

1–5 of 2.6K

Institutions

847

  1. Centre National de la Recherche Scientifique

    Paris, France

    28 h-index

    111 publications

    5.4K citations

  2. Pacific Northwest National Laboratory

    Richland, United States

    21 h-index

    57 publications

    5.2K citations

  3. The Ohio State University

    Columbus, United States

    19 h-index

    44 publications

    2.8K citations

  4. University of California, Berkeley

    Berkeley, United States

    19 h-index

    61 publications

    6.7K citations

  5. Université Toulouse III - Paul Sabatier

    Toulouse, France

    16 h-index

    37 publications

    2.4K citations

  6. Argonne National Laboratory

    Lemont, United States

    16 h-index

    28 publications

    16.3K citations

  7. Lawrence Berkeley National Laboratory

    Berkeley, United States

    16 h-index

    50 publications

    2.9K citations

  8. Columbia University

    New York, United States

    15 h-index

    35 publications

    1.8K citations

1–8 of 847

Venues

  1. The Journal of Chemical Physics

    323 publications · 108.4K citations

    92

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 98 publications · 10.7K citations

    50

    h-index

  3. The Journal of Physical Chemistry A

    94 publications · 6.1K citations

    42

    h-index

  4. Physical review. B, Condensed matter

    PRB · 58 publications · 5K citations

    35

    h-index

  5. International Journal of Quantum Chemistry

    57 publications · 2.1K citations

    27

    h-index

1–5