Concepedia

Determinant Basis Sets

Determinant Basis Sets is a systematic framework in quantum chemistry that comprises a set of Slater determinants constructed from combinations of molecular orbitals to span the many-electron Hilbert space, serving as a basis for configuration interaction expansions to approximate the exact electronic wavefunction.

76

Publications

2.9K

Citations

167

Authors

119

Institutions

Publications per year

2017–2026

9

Variants

Slater Determinant Basis Sets

Parents

Publications

76

Transition probability calculations for atoms using nonorthogonal orbitals

Jeppe Olsen, Michel Godefroid, Per Jönsson et al. · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics · 1995 · 260 citations

, , +15

Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods

George H. Booth, Deidre Cleland, Alex J. W. Thom et al. · The Journal of Chemical Physics · 2011 · 166 citations

, , +17

Gröbner bases and multiplicity of determinantal and pfaffian ideals

Jürgen Herzog, NgôViêt Trung · Advances in Mathematics · 1992 · 151 citations

, , +6

The MP2‐F12 method in the T<scp>URBOMOLE</scp> program package

Rafał A. Bachorz, Florian A. Bischoff, Andreas Glöß et al. · Journal of Computational Chemistry · 2011 · 116 citations

, , +14

Vectorizable approach to molecular CI problems using determinantal basis

Sohrab Zarrabian, C. R. Sarma, Josef Paldus · Chemical Physics Letters · 1989 · 103 citations

, , +8

1–5 of 76

Authors

167

  1. JD
    Jie Du

    UNSW Sydney, Australia

    4 publications · 119 citations

    4

    h-index

  2. AS
    Anthony Scemama

    Centre National de la Recherche Scientifique, France

    2 publications · 76 citations

    2

    h-index

  3. DM
    Daniel Maynau

    Université Toulouse III - Paul Sabatier, France

    2 publications · 60 citations

    2

    h-index

  4. JS
    James S. Spencer

    Imperial College London, United Kingdom

    2 publications · 57 citations

    2

    h-index

  5. SF
    S. Fritzsche

    Helmholtz Institute Jena, Germany

    2 publications · 36 citations

    2

    h-index

1–5 of 167

Institutions

119

  1. UNSW Sydney

    Sydney, Australia

    3 h-index

    3 publications

    74 citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    3 h-index

    8 publications

    382 citations

  3. Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes

    Toulouse, France

    2 h-index

    5 publications

    192 citations

  4. William & Mary

    Williamsburg, United States

    2 h-index

    2 publications

    49 citations

  5. Uppsala University

    Uppsala, Sweden

    2 h-index

    3 publications

    96 citations

  6. Stockholm University

    Stockholm, Sweden

    2 h-index

    4 publications

    218 citations

  7. Lawrence Livermore National Laboratory

    Livermore, United States

    2 h-index

    3 publications

    64 citations

  8. University of Oxford

    Oxford, United Kingdom

    2 h-index

    2 publications

    42 citations

1–8 of 119

Venues

  1. The Journal of Chemical Physics

    12 publications · 547 citations

    12

    h-index

  2. International Journal of Quantum Chemistry

    4 publications · 238 citations

    4

    h-index

  3. Advances in Mathematics

    4 publications · 229 citations

    4

    h-index

  4. Computer Physics Communications

    4 publications · 102 citations

    4

    h-index

  5. Journal of Computational Chemistry

    3 publications · 200 citations

    3

    h-index

1–5