Concepedia

Canonical Orbitals

Canonical Orbital is a molecular orbital derived from the Hartree-Fock method that diagonalizes the Fock operator, thereby representing a stationary state of the system in which each orbital is an eigenfunction of the effective one-electron Hamiltonian.

884

Publications

58.5K

Citations

1.8K

Authors

623

Institutions

Publications per year

2017–2026

99

Variants

Canonical Molecular Orbitals

Parents

Publications

884

Gaussian-Type Functions for Polyatomic Systems. II

Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations

, , +15

An efficient and near linear scaling pair natural orbital based local coupled cluster method

Christoph Riplinger, Frank Neese · The Journal of Chemical Physics · 2013 · 2K citations

, , +15

Introduction of <i>n</i>-electron valence states for multireference perturbation theory

Celestino Angeli, Renzo Cimiraglia, Stefano Evangelisti et al. · The Journal of Chemical Physics · 2001 · 1.9K citations

, , +17

A fast intrinsic localization procedure applicable for <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> and semiempirical linear combination of atomic orbital wave functions

Jānos Pipek, Paul G. Mezey · The Journal of Chemical Physics · 1989 · 1.8K citations

, , +13

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

Stefan Maintz, Volker L. Deringer, Andrei L. Tchougréeff et al. · Journal of Computational Chemistry · 2013 · 1.7K citations

, , +17

1–5 of 884

Authors

1.8K

  1. ER
    Ernest R. Davidson

    Indiana University Bloomington, United States

    21 publications · 1.4K citations

    18

    h-index

  2. CB
    C.E. Brion

    University of British Columbia, Canada

    11 publications · 585 citations

    11

    h-index

  3. II
    I. I. Guseinov

    Çanakkale Onsekiz Mart Üniversitesi, Türkiye

    8 publications · 186 citations

    8

    h-index

  4. SH
    Sigeru Huzinaga

    University of Alberta, Canada

    7 publications · 3.6K citations

    7

    h-index

  5. JV
    J. V. Ortiz

    Auburn University, United States

    7 publications · 196 citations

    7

    h-index

1–5 of 1.8K

Institutions

623

  1. Indiana University Bloomington

    Bloomington, United States

    14 h-index

    15 publications

    1.3K citations

  2. The University of Tokyo

    Tokyo, Japan

    12 h-index

    13 publications

    692 citations

  3. University of Wisconsin–Madison

    Madison, United States

    12 h-index

    13 publications

    614 citations

  4. Université Toulouse III - Paul Sabatier

    Toulouse, France

    12 h-index

    13 publications

    2.3K citations

  5. University of Washington

    Seattle, United States

    12 h-index

    15 publications

    723 citations

  6. Centre National de la Recherche Scientifique

    Paris, France

    12 h-index

    13 publications

    511 citations

  7. Uppsala University

    Uppsala, Sweden

    11 h-index

    11 publications

    1.7K citations

  8. Johns Hopkins University

    Baltimore, United States

    10 h-index

    10 publications

    882 citations

1–8 of 623

Venues

  1. The Journal of Chemical Physics

    251 publications · 24.7K citations

    69

    h-index

  2. International Journal of Quantum Chemistry

    79 publications · 3.2K citations

    28

    h-index

  3. Journal of the American Chemical Society

    JACS · 24 publications · 2.6K citations

    22

    h-index

  4. Journal of Chemical Theory and Computation

    JCTC · 30 publications · 1.6K citations

    22

    h-index

  5. Molecular Physics

    23 publications · 1K citations

    17

    h-index

1–5