Concepedia

Bader Charge Analysis

Bader Charge Analysis is a quantum chemical method that partitions electron density into atomic basins by identifying zero-flux surfaces in the density gradient, thereby enabling the quantification of atomic charges in molecules and solids.

174

Publications

27.8K

Citations

742

Authors

308

Institutions

Publications per year

2017–2026

97

Variants

Bader Analysis

Parents

Publications

174

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson · Computational Materials Science · 2005 · 10.4K citations

, , +6

Improved grid‐based algorithm for Bader charge allocation

Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text

, , +13

Accurate and efficient algorithm for Bader charge integration

The Journal of Chemical Physics · 2011 · 2K citations · Full text

, , +12

Accurate and efficient algorithm for Bader charge integration

2010 · 2K citations

, , +12

Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis

Célia Fonseca Guerra, Jan‐Willem Handgraaf, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2003 · 1.2K citations

, , +16

1–5 of 174

Authors

742

  1. RA
    Rajeev Ahuja

    Uppsala University, Sweden

    7 publications · 429 citations

    7

    h-index

  2. HH
    Hannu Häkkinen

    University of Jyväskylä, Finland

    4 publications · 232 citations

    4

    h-index

  3. JK
    J. Karl Johnson

    University of Pittsburgh, United States

    3 publications · 243 citations

    3

    h-index

  4. FI
    Francesc Illas

    Universitat de Barcelona, Spain

    3 publications · 120 citations

    3

    h-index

  5. JW
    Jennifer Wilcox

    Stanford University, United States

    3 publications · 502 citations

    3

    h-index

1–5 of 742

Institutions

308

  1. Uppsala University

    Uppsala, Sweden

    9 h-index

    23 publications

    1.5K citations

  2. KTH Royal Institute of Technology

    Stockholm, Sweden

    7 h-index

    9 publications

    472 citations

  3. Chinese Academy of Sciences

    Beijing, China

    7 h-index

    36 publications

    2K citations

  4. University of Science and Technology of China

    Hefei, China

    6 h-index

    20 publications

    919 citations

  5. Bhabha Atomic Research Centre

    Mumbai, India

    5 h-index

    9 publications

    268 citations

  6. Stanford University

    Stanford, United States

    4 h-index

    9 publications

    1.2K citations

  7. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    8 publications

    193 citations

  8. University of Jyväskylä

    Jyväskylä, Finland

    4 h-index

    12 publications

    819 citations

1–8 of 308

Venues

  1. The Journal of Physical Chemistry C

    30 publications · 2.1K citations

    20

    h-index

  2. Physical Chemistry Chemical Physics

    PCCP · 18 publications · 571 citations

    15

    h-index

  3. The Journal of Chemical Physics

    9 publications · 2.4K citations

    9

    h-index

  4. Scientific Reports

    8 publications · 252 citations

    8

    h-index

  5. Journal of Physics Condensed Matter

    6 publications · 215 citations

    6

    h-index

1–5