Concepedia

Gaussian Basis Functions

Gaussian Basis Functions is a mathematical construct in quantum chemistry that belongs to the class of basis functions used to approximate atomic orbitals, distinguished by its use of Gaussian-type orbitals to represent electron density in ab initio electronic structure calculations.

2.5K

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459K

Citations

4K

Authors

1.3K

Institutions

Publications per year

2017–2026

263

Parents

Publications

2.5K

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

, , +17

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

, , +15

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

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Authors

4K

  1. JA
    John A. Pople

    Carnegie Mellon University, United States

    33 publications · 62.2K citations

    31

    h-index

  2. LA
    Ludwik Adamowicz

    University of Arizona, United States

    67 publications · 2.6K citations

    30

    h-index

  3. HF
    Henry F. Schaefer

    University of Georgia, United States

    37 publications · 2.7K citations

    30

    h-index

  4. SR
    Stephen R. Langhoff

    Ames Research Center, United States

    32 publications · 5.2K citations

    26

    h-index

  5. SH
    Sigeru Huzinaga

    University of Alberta, Canada

    27 publications · 11.1K citations

    24

    h-index

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Institutions

1.3K

  1. University of California, Berkeley

    Berkeley, United States

    35 h-index

    102 publications

    11K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    34 h-index

    168 publications

    11K citations

  3. Ames Research Center

    Mountain View, United States

    31 h-index

    88 publications

    6.3K citations

  4. IBM (United States)

    Armonk, United States

    31 h-index

    85 publications

    25.9K citations

  5. University of Arizona

    Tucson, United States

    29 h-index

    140 publications

    5.1K citations

  6. University of Turin

    Turin, Italy

    28 h-index

    129 publications

    9.2K citations

  7. Lawrence Berkeley National Laboratory

    Berkeley, United States

    28 h-index

    88 publications

    7.7K citations

  8. Argonne National Laboratory

    Lemont, United States

    27 h-index

    58 publications

    75.6K citations

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Venues

  1. The Journal of Chemical Physics

    846 publications · 273.3K citations

    146

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  2. Journal of Computational Chemistry

    89 publications · 13.3K citations

    43

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 91 publications · 6.1K citations

    42

    h-index

  4. Molecular Physics

    108 publications · 12.7K citations

    41

    h-index

  5. Chemical Physics Letters

    81 publications · 5.7K citations

    39

    h-index

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