Concepedia

Perturbative Triples Corrections

Perturbative Triples Corrections is a post-CCSD energy correction method in coupled cluster theory that accounts for triple excitations perturbatively by approximating their contribution to the correlation energy beyond the singles and doubles level.

195

Publications

24.8K

Citations

404

Authors

170

Institutions

Publications per year

2017–2026

31

Parents

Publications

195

Basis-set convergence of correlated calculations on water

Trygve Helgaker, Wim Klopper, Henrik Koch et al. · The Journal of Chemical Physics · 1997 · 2.6K citations

, , +17

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

Christoph Riplinger, Barbara Sandhoefer, Andreas Hansen et al. · The Journal of Chemical Physics · 2013 · 1.9K citations

, , +16

Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory

Saeedreza Emamian, Tian Lu, Holger Kruse et al. · Journal of Computational Chemistry · 2019 · 1.5K citations

, , +17

Estimates of the Ab Initio Limit for π−π Interactions:  The Benzene Dimer

Mutasem Omar Sinnokrot, Edward F. Valeev, C. David Sherrill · Journal of the American Chemical Society · 2002 · 1.3K citations

, , +14

Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories

Miles J.O. Deegan, Peter J. Knowles · Chemical Physics Letters · 1994 · 1.1K citations

, , +16

1–5 of 195

Authors

404

  1. JP
    Josef Paldus

    University of Waterloo, Canada

    12 publications · 488 citations

    11

    h-index

  2. XL
    Xiangzhu Li

    University of Waterloo, Canada

    12 publications · 488 citations

    11

    h-index

  3. TH
    Trygve Helgaker

    University of Oslo, Norway

    10 publications · 4.1K citations

    10

    h-index

  4. MK
    Mihály Kállay

    Budapest University of Technology and Economics, Hungary

    9 publications · 1.3K citations

    9

    h-index

  5. CD
    C. David Sherrill

    Georgia Institute of Technology, United States

    8 publications · 2.3K citations

    8

    h-index

1–5 of 404

Institutions

170

  1. Aarhus University

    Aarhus, Denmark

    13 h-index

    37 publications

    6.8K citations

  2. University of Waterloo

    Waterloo, Canada

    12 h-index

    26 publications

    1.1K citations

  3. University of Stuttgart

    Stuttgart, Germany

    10 h-index

    19 publications

    2.6K citations

  4. Pacific Northwest National Laboratory

    Richland, United States

    10 h-index

    33 publications

    3.2K citations

  5. Budapest University of Technology and Economics

    Budapest, Hungary

    9 h-index

    24 publications

    3.6K citations

  6. University of Oslo

    Oslo, Norway

    9 h-index

    16 publications

    7.1K citations

  7. Environmental Molecular Sciences Laboratory

    Richland, United States

    7 h-index

    22 publications

    1.9K citations

  8. Georgia Institute of Technology

    Atlanta, United States

    7 h-index

    18 publications

    6.8K citations

1–8 of 170

Venues

  1. The Journal of Chemical Physics

    96 publications · 13.5K citations

    52

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 26 publications · 2K citations

    21

    h-index

  3. The Journal of Physical Chemistry A

    24 publications · 2.1K citations

    18

    h-index

  4. Molecular Physics

    10 publications · 247 citations

    10

    h-index

  5. Chemical Physics Letters

    8 publications · 2.4K citations

    8

    h-index

1–5