Concepedia

Wavefunction Analysis

Wavefunction Analysis is a computational methodology in quantum chemistry that, as a member of the class of theoretical tools for interpreting electronic structure, specifically involves the decomposition and examination of the wavefunction to extract chemical insights such as electron correlation, bonding character, and orbital interactions.

813

Publications

96.5K

Citations

1.9K

Authors

722

Institutions

Publications per year

2017–2026

121

Parents

Publications

813

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

, , +15

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

Tian Lu · The Journal of Chemical Physics · 2024 · 3.9K citations

, , +14

Atoms in molecules

R. F. W. Bader · Accounts of Chemical Research · 1985 · 3.7K citations

, , +17

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods

The Journal of Chemical Physics · 1966 · 3.1K citations

, , +15

Natural bond orbital methods

Eric D. Glendening, Clark R. Landis, Frank Weinhold · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.7K citations

, , +16

1–5 of 813

Authors

1.9K

  1. JO
    Joseph O. Hirschfelder

    University of Wisconsin–Madison, United States

    6 publications · 453 citations

    6

    h-index

  2. FW
    Frank Weinhold

    University of Wisconsin–Madison, United States

    5 publications · 2.5K citations

    5

    h-index

  3. ER
    Ernest R. Davidson

    Indiana University Bloomington, United States

    5 publications · 500 citations

    5

    h-index

  4. RE
    Róbert E. Wyatt

    The University of Texas at Austin, United States

    5 publications · 238 citations

    5

    h-index

  5. MM
    Man Mohan

    University of Delhi, India

    5 publications · 93 citations

    5

    h-index

1–5 of 1.9K

Institutions

722

  1. Centre National de la Recherche Scientifique

    Paris, France

    15 h-index

    50 publications

    4.9K citations

  2. Queen's University Belfast

    Belfast, United Kingdom

    14 h-index

    35 publications

    978 citations

  3. University of Cambridge

    Cambridge, United Kingdom

    13 h-index

    32 publications

    3K citations

  4. University of Chicago

    Chicago, United States

    11 h-index

    16 publications

    1.3K citations

  5. University of Wisconsin–Madison

    Madison, United States

    11 h-index

    21 publications

    5.9K citations

  6. University of Illinois Urbana-Champaign

    Urbana, United States

    11 h-index

    23 publications

    2.4K citations

  7. Lawrence Berkeley National Laboratory

    Berkeley, United States

    9 h-index

    20 publications

    778 citations

  8. University of California, Berkeley

    Berkeley, United States

    9 h-index

    28 publications

    959 citations

1–8 of 722

Venues

  1. The Journal of Chemical Physics

    144 publications · 16.7K citations

    50

    h-index

  2. 27

    h-index

  3. Journal of Physics B Atomic and Molecular Physics

    53 publications · 2.1K citations

    26

    h-index

  4. Journal of Physics A Mathematical and General

    25 publications · 2K citations

    19

    h-index

  5. Molecular Physics

    24 publications · 828 citations

    18

    h-index

1–5