Concepedia

Pseudopotentials

Pseudopotentials is a computational method in electronic structure theory that replaces the explicit representation of core electrons and the atomic nucleus with an effective potential, thereby simplifying the description of valence electron interactions while retaining chemical accuracy.

2.9K

Publications

597K

Citations

4.7K

Authors

1.3K

Institutions

Publications per year

2017–2026

219

Variants

Effective Core Potentials

Parents

Publications

2.9K

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

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

, , +17

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

1–5 of 2.9K

Authors

4.7K

  1. ML
    Marvin L. Cohen

    Lawrence Berkeley National Laboratory, United States

    92 publications · 16K citations

    57

    h-index

  2. MD
    Michael Dolg

    University of Cologne, Germany

    85 publications · 35.9K citations

    51

    h-index

  3. HS
    Hermann Stoll

    University of Stuttgart, Germany

    61 publications · 30.8K citations

    40

    h-index

  4. JR
    James R. Chelikowsky

    University of Minnesota, United States

    68 publications · 8.9K citations

    39

    h-index

  5. AZ
    Alex Zunger

    National Laboratory of the Rockies, United States

    42 publications · 4K citations

    33

    h-index

1–5 of 4.7K

Institutions

1.3K

  1. Lawrence Berkeley National Laboratory

    Berkeley, United States

    63 h-index

    111 publications

    17.1K citations

  2. University of California, Berkeley

    Berkeley, United States

    55 h-index

    99 publications

    14.8K citations

  3. University of Stuttgart

    Stuttgart, Germany

    48 h-index

    91 publications

    35.9K citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    42 h-index

    107 publications

    5.9K citations

  5. Université Toulouse III - Paul Sabatier

    Toulouse, France

    32 h-index

    54 publications

    4K citations

  6. University of Cambridge

    Cambridge, United Kingdom

    31 h-index

    49 publications

    19.5K citations

  7. University of Minnesota

    Minneapolis, United States

    30 h-index

    37 publications

    21.9K citations

  8. National Laboratory of the Rockies

    Golden, United States

    30 h-index

    35 publications

    3.2K citations

1–8 of 1.3K

Venues

  1. Physical review. B, Condensed matter

    PRB · 536 publications · 336.2K citations

    143

    h-index

  2. The Journal of Chemical Physics

    332 publications · 41.3K citations

    86

    h-index

  3. Physical Review B

    PRB · 147 publications · 14.8K citations

    54

    h-index

  4. Physical Review Letters

    PRL · 81 publications · 31.6K citations

    53

    h-index

  5. Physical review. B, Solid state

    89 publications · 11.2K citations

    46

    h-index

1–5