Concepedia

Spin-orbital Formulations

Spin-Orbital Formulations is a computational framework in multireference quantum chemistry that explicitly incorporates both spatial and spin degrees of freedom in the representation of electronic wave functions to accurately describe electron correlation and non-dynamic effects in molecular systems.

208

Publications

27.3K

Citations

447

Authors

243

Institutions

Publications per year

2017–2026

25

Parents

Publications

208

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

George D. Purvis, Rodney J. Bartlett · The Journal of Chemical Physics · 1982 · 6.5K citations

, , +17

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

Per‐Olov Löwdin · Physical Review · 1955 · 3.6K citations

, , +14

Coupled cluster theory for high spin, open shell reference wave functions

Peter J. Knowles, Claudia Hampel, Hans‐Joachim Werner · The Journal of Chemical Physics · 1993 · 2K citations

, , +16

A mean-field spin-orbit method applicable to correlated wavefunctions

Bernd A. Heß, Christel M. Marian, Ulf Wahlgren et al. · Chemical Physics Letters · 1996 · 1.3K citations

, , +9

Construction and application of an accurate local spin-polarized Kohn-Sham potential with integer discontinuity: Exchange-only theory

J. B. Krieger, Yan Li, G. J. Iafrate · Physical Review A · 1992 · 761 citations

, , +12

1–5 of 208

Authors

447

  1. JP
    Josef Paldus

    University of Waterloo, Canada

    5 publications · 969 citations

    5

    h-index

  2. JC
    Jerzy Ciosłowski

    Florida State University, United States

    5 publications · 209 citations

    5

    h-index

  3. RJ
    Rodney J. Bartlett

    University of Florida, United States

    4 publications · 6.7K citations

    4

    h-index

  4. KY
    Kizashi Yamaguchi

    The University of Osaka, Japan

    4 publications · 80 citations

    4

    h-index

  5. KP
    Katarzyna Pernal

    Institute of Physics, Poland

    3 publications · 165 citations

    3

    h-index

1–5 of 447

Institutions

243

  1. University of Florida

    Gainesville, United States

    10 h-index

    18 publications

    14K citations

  2. Florida State University

    Tallahassee, United States

    8 h-index

    15 publications

    596 citations

  3. The University of Tokyo

    Tokyo, Japan

    6 h-index

    11 publications

    410 citations

  4. Uppsala University

    Uppsala, Sweden

    6 h-index

    8 publications

    4K citations

  5. Institute of Physics

    Warsaw, Poland

    6 h-index

    7 publications

    136 citations

  6. The University of Osaka

    Osaka, Japan

    6 h-index

    18 publications

    367 citations

  7. The Ohio State University

    Columbus, United States

    5 h-index

    6 publications

    545 citations

  8. Max Planck Institute for Solid State Research

    Stuttgart, Germany

    5 h-index

    7 publications

    150 citations

1–8 of 243

Venues

  1. The Journal of Chemical Physics

    64 publications · 13.2K citations

    39

    h-index

  2. International Journal of Quantum Chemistry

    16 publications · 1.4K citations

    13

    h-index

  3. Chemical Physics Letters

    12 publications · 1.8K citations

    12

    h-index

  4. Physical Review

    9 publications · 4.1K citations

    9

    h-index

  5. Molecular Physics

    7 publications · 407 citations

    7

    h-index

1–5