Concepedia

Adiabatic State Representations

Adiabatic State Representations is a theoretical framework in multireference quantum chemistry that represents electronic states as eigenstates of the Born–Oppenheimer electronic Hamiltonian, distinguished by their adiabatic dependence on nuclear coordinates and their diagonalization of the electronic Hamiltonian at each nuclear configuration.

83

Publications

4.6K

Citations

169

Authors

98

Institutions

Publications per year

2017–2026

14

Parents

Publications

83

Molecular dynamics without effective potentials via the Car-Parrinello approach

Dahlia K. Remler, Paul A. Madden · Molecular Physics · 1990 · 597 citations

, , +13

Approximately diabatic states from block diagonalization of the electronic Hamiltonian

T. Pacher, Lorenz S. Cederbaum, Horst Köppel · The Journal of Chemical Physics · 1988 · 309 citations

, , +12

Nonadiabatic representations of the 1Σ+<i>u</i> and 1Π<i>u</i> states of the N2 molecule

D. P. Stahel, Matteo Leoni, K. Dressler · The Journal of Chemical Physics · 1983 · 214 citations

, , +17

Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions

David R. Yarkony · The Journal of Chemical Physics · 2001 · 185 citations

, , +13

Nonadiabatic Excited-State Dynamics with Machine Learning

Pavlo O. Dral, Mario Barbatti, Walter Thiel · The Journal of Physical Chemistry Letters · 2018 · 175 citations

, , +16

1–5 of 83

Authors

169

  1. DR
    David R. Yarkony

    Johns Hopkins University, United States

    12 publications · 576 citations

    12

    h-index

  2. SI
    S. I. Vinitsky

    Joint Institute for Nuclear Research, Russia

    4 publications · 125 citations

    4

    h-index

  3. DG
    Donald G. Truhlar

    University of Minnesota, United States

    4 publications · 247 citations

    4

    h-index

  4. CL
    Christopher L. Malbon

    Johns Hopkins University, United States

    3 publications · 86 citations

    3

    h-index

  5. XZ
    Xiaolei Zhu

    Johns Hopkins University, United States

    3 publications · 86 citations

    3

    h-index

1–5 of 169

Institutions

98

  1. Johns Hopkins University

    Baltimore, United States

    12 h-index

    22 publications

    855 citations

  2. University of Minnesota

    Minneapolis, United States

    6 h-index

    18 publications

    962 citations

  3. University of Florida

    Gainesville, United States

    3 h-index

    6 publications

    175 citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    3 h-index

    5 publications

    377 citations

  5. Aarhus University

    Aarhus, Denmark

    3 h-index

    6 publications

    261 citations

  6. University of Coimbra

    Coimbra, Portugal

    2 h-index

    5 publications

    125 citations

  7. Instituto de Física Fundamental

    Madrid, Spain

    2 h-index

    5 publications

    204 citations

  8. Indian Association for the Cultivation of Science

    Kolkata, India

    2 h-index

    5 publications

    199 citations

1–8 of 98

Venues

  1. The Journal of Chemical Physics

    24 publications · 1.9K citations

    21

    h-index

  2. The Journal of Physical Chemistry A

    6 publications · 191 citations

    6

    h-index

  3. Chemical Physics Letters

    6 publications · 204 citations

    6

    h-index

  4. Physical review. A, General physics

    6 publications · 134 citations

    6

    h-index

  5. International Journal of Quantum Chemistry

    5 publications · 141 citations

    5

    h-index

1–5