Concepedia

State-averaged Self-consistent Field

State-Averaged Self-Consistent Field is a multiconfigurational self-consistent field method in which the orbital optimization is performed by averaging over multiple electronic states to yield a balanced description of their respective wavefunctions and energies.

36

Publications

3K

Citations

102

Authors

57

Institutions

Publications per year

2017–2026

10

Variants

Sa-scfState-averaged Scf

Parents

Publications

36

Quasidegenerate perturbation theory with multiconfigurational self-consistent-field reference functions

Haruyuki Nakano · The Journal of Chemical Physics · 1993 · 929 citations

, , +16

Trajectory Surface Hopping within Linear Response Time-Dependent Density-Functional Theory

Enrico Tapavicza, Ivano Tavernelli, Ursula Röthlisberger · Physical Review Letters · 2007 · 378 citations · Full text

, , +17

Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical Intersections

Ignacio Fdez. Galván, Mickaël G. Delcey, Thomas Bondo Pedersen et al. · Journal of Chemical Theory and Computation · 2016 · 176 citations · Full text

, , +10

Dynamically weighted multiconfiguration self-consistent field: Multistate calculations for F+H2O→HF+OH reaction paths

Michael P. Deskevich, David J. Nesbitt, Hans‐Joachim Werner · The Journal of Chemical Physics · 2004 · 165 citations

, , +17

A fully variational spin-orbit coupled complete active space self-consistent field approach: Application to electron paramagnetic resonance g-tensors

Dmitry Ganyushin, Frank Neese · The Journal of Chemical Physics · 2013 · 159 citations

, , +17

1–5 of 36

Authors

102

  1. RL
    Roland Lindh

    Uppsala University, Sweden

    3 publications · 325 citations

    3

    h-index

  2. TJ
    Todd J. Martı́nez

    Stanford University, United States

    3 publications · 205 citations

    3

    h-index

  3. JW
    James W. Snyder

    SLAC National Accelerator Laboratory, United States

    3 publications · 205 citations

    3

    h-index

  4. TB
    Thomas Bondo Pedersen

    University of Oslo, Norway

    2 publications · 217 citations

    2

    h-index

  5. MR
    Matthew R. Hermes

    University of Chicago, United States

    2 publications · 74 citations

    2

    h-index

1–5 of 102

Institutions

57

  1. SLAC National Accelerator Laboratory

    Menlo Park, United States

    3 h-index

    9 publications

    619 citations

  2. Stanford University

    Stanford, United States

    3 h-index

    9 publications

    619 citations

  3. Kyoto University

    Kyoto, Japan

    3 h-index

    4 publications

    1.1K citations

  4. University of Oslo

    Oslo, Norway

    2 h-index

    2 publications

    217 citations

  5. University of Bologna

    Bologna, Italy

    2 h-index

    2 publications

    217 citations

  6. Max Planck Institute for Chemical Energy Conversion

    Mülheim, Germany

    2 h-index

    3 publications

    394 citations

  7. Max-Planck-Institut für Kohlenforschung

    Mülheim, Germany

    2 h-index

    2 publications

    122 citations

  8. École Polytechnique Fédérale de Lausanne

    Lausanne, Switzerland

    2 h-index

    4 publications

    1.2K citations

1–8 of 57

Venues

  1. The Journal of Chemical Physics

    16 publications · 1.8K citations

    16

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 6 publications · 395 citations

    6

    h-index

  3. The Journal of Physical Chemistry A

    4 publications · 96 citations

    4

    h-index

  4. Molecular Physics

    3 publications · 141 citations

    3

    h-index

  5. The Journal of Physical Chemistry Letters

    2 publications · 108 citations

    2

    h-index

1–5