Concepedia

Quantum Chemistry

Quantum chemistry is a branch of physical chemistry that applies quantum mechanics to determine the electronic structure and properties of atoms and molecules.

89K

Publications

6.8M

Citations

95.4K

Authors

7.7K

Institutions

Publications per year

2017–2026

11.5K

Parents

Children

Publications

89K

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

1–5 of 89K

Authors

95.4K

  1. DG
    Donald G. Truhlar

    University of Minnesota, United States

    482 publications · 111.7K citations

    112

    h-index

  2. JA
    John A. Pople

    Carnegie Mellon University, United States

    195 publications · 131.5K citations

    106

    h-index

  3. FN
    Frank Neese

    Max Planck Institute for Chemical Energy Conversion, Germany

    215 publications · 68.5K citations

    101

    h-index

  4. SG
    Stefan Grimme

    University of Bonn, Germany

    207 publications · 114.3K citations

    92

    h-index

  5. RJ
    Rodney J. Bartlett

    University of Florida, United States

    287 publications · 46.1K citations

    91

    h-index

1–5 of 95.4K

Institutions

7.7K

  1. Centre National de la Recherche Scientifique

    Paris, France

    155 h-index

    8.9K publications

    471.9K citations

  2. University of California, Berkeley

    Berkeley, United States

    142 h-index

    2.8K publications

    415.9K citations

  3. Lawrence Berkeley National Laboratory

    Berkeley, United States

    135 h-index

    2.2K publications

    210.7K citations

  4. University of Minnesota

    Minneapolis, United States

    128 h-index

    2.1K publications

    388.5K citations

  5. University of Chicago

    Chicago, United States

    127 h-index

    1.3K publications

    125.6K citations

  6. California Institute of Technology

    Pasadena, United States

    120 h-index

    1.5K publications

    189.8K citations

  7. Harvard University

    Cambridge, United States

    118 h-index

    1.1K publications

    167.9K citations

  8. University of Cambridge

    Cambridge, United Kingdom

    116 h-index

    1.3K publications

    250.7K citations

1–8 of 7.7K

Venues

  1. The Journal of Chemical Physics

    20.4K publications · 2M citations

    432

    h-index

  2. Journal of the American Chemical Society

    JACS · 3.3K publications · 318.1K citations

    221

    h-index

  3. The Journal of Physical Chemistry A

    6K publications · 312.3K citations

    193

    h-index

  4. Journal of Chemical Theory and Computation

    JCTC · 2.4K publications · 187.7K citations

    179

    h-index

  5. Physical Review Letters

    PRL · 873 publications · 116.3K citations

    153

    h-index

1–5

See also

Quantum Chemistry

Electronic Structure Methods

Basis Sets

Molecular Properties

Approximation Errors

Chemical Applications