Concepedia

Multireference Pair-density Functional Theory

Multireference Pair-Density Functional Theory is a quantum chemical method that belongs to the class of density functional theories and is specifically distinguished by its integration of multireference wavefunction descriptions to accurately model static correlation while employing a pair-density functional to account for dynamic correlation in systems with strong electron correlation.

50

Publications

2.6K

Citations

139

Authors

56

Institutions

Publications per year

2017–2026

23

Variants

Mr-pdft

Parents

Publications

50

The MRCC program system: Accurate quantum chemistry from water to proteins

Mihály Kállay, Péter R. Nagy, Dávid Mester et al. · The Journal of Chemical Physics · 2020 · 523 citations

, , +17

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems

Laura Gagliardi, Donald G. Truhlar, Giovanni Li Manni et al. · Accounts of Chemical Research · 2016 · 338 citations

, , +15

Canonical transformation theory from extended normal ordering

Takeshi Yanai, Garnet Kin‐Lic Chan · The Journal of Chemical Physics · 2007 · 135 citations · Full text

, , +16

Correlated-Participating-Orbitals Pair-Density Functional Method and Application to Multiplet Energy Splittings of Main-Group Divalent Radicals

Junwei Lucas Bao, Andrew M. Sand, Laura Gagliardi et al. · Journal of Chemical Theory and Computation · 2016 · 77 citations

, , +17

Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs

Junwei Lucas Bao, Samuel O. Odoh, Laura Gagliardi et al. · Journal of Chemical Theory and Computation · 2016 · 75 citations

, , +17

1–5 of 50

Authors

139

  1. LG
    Laura Gagliardi

    University of Minnesota, United States

    19 publications · 1K citations

    18

    h-index

  2. DG
    Donald G. Truhlar

    University of Minnesota, United States

    20 publications · 1.1K citations

    18

    h-index

  3. JJ
    Jie J. Bao

    University of Minnesota, United States

    5 publications · 192 citations

    5

    h-index

  4. AM
    Andrew M. Sand

    University of Minnesota, United States

    4 publications · 161 citations

    4

    h-index

  5. JL
    Junwei Lucas Bao

    University of Minnesota, United States

    3 publications · 490 citations

    3

    h-index

1–5 of 139

Institutions

56

  1. University of Minnesota

    Minneapolis, United States

    18 h-index

    59 publications

    4.3K citations

  2. University of Chicago

    Chicago, United States

    8 h-index

    21 publications

    542 citations

  3. Argonne National Laboratory

    Lemont, United States

    6 h-index

    8 publications

    183 citations

  4. Butler University

    Indianapolis, United States

    2 h-index

    2 publications

    41 citations

  5. University of the Basque Country

    Leioa, Spain

    2 h-index

    7 publications

    250 citations

  6. Technische Universität Darmstadt

    Darmstadt, Germany

    1 h-index

    1 publications

    44 citations

  7. Dalhousie University

    Halifax, Canada

    1 h-index

    3 publications

    156 citations

  8. Polymat

    Donostia / San Sebastian, Spain

    1 h-index

    1 publications

    15 citations

1–8 of 56

Venues

  1. Journal of Chemical Theory and Computation

    JCTC · 11 publications · 502 citations

    12

    h-index

  2. The Journal of Chemical Physics

    10 publications · 909 citations

    10

    h-index

  3. The Journal of Physical Chemistry A

    6 publications · 182 citations

    6

    h-index

  4. Theoretical Chemistry Accounts

    5 publications · 213 citations

    5

    h-index

  5. Physical Chemistry Chemical Physics

    PCCP · 2 publications · 93 citations

    2

    h-index

1–5