Concepedia

Derivative Discontinuity

Derivative Discontinuity is a fundamental property in Density Functional Theory characterized by a discontinuous jump in the functional derivative of the exchange-correlation energy with respect to electron density at integer particle numbers, reflecting the abrupt change in chemical potential upon addition or removal of an electron.

92

Publications

9K

Citations

185

Authors

112

Institutions

Publications per year

2017–2026

14

Parents

Publications

92

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

John P. Perdew, Robert G. Parr, Mel Levy et al. · Physical Review Letters · 1982 · 3K citations

, , +13

Exact Kohn-Sham Exchange Potential in Semiconductors

M. Städele, Jacek A. Majewski, P. Vogl et al. · Physical Review Letters · 1997 · 348 citations

, , +15

Self-Interaction Errors in Density-Functional Calculations of Electronic Transport

Cormac Toher, Alessio Filippetti, Stefano Sanvito et al. · Physical Review Letters · 2005 · 319 citations · Full text

, , +15

Asymptotic correction approach to improving approximate exchange–correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra

Mark E. Casida, Dennis R. Salahub · The Journal of Chemical Physics · 2000 · 305 citations

, , +16

Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators

Myrta Grüning, Andrea Marini, Ángel Rubio · The Journal of Chemical Physics · 2006 · 191 citations · Full text

, , +16

1–5 of 92

Authors

185

  1. SK
    Stephan Kümmel

    University of Bayreuth, Germany

    6 publications · 484 citations

    6

    h-index

  2. KC
    K. Capelle

    Universidade de São Paulo, Brazil

    4 publications · 221 citations

    4

    h-index

  3. LK
    Leeor Kronik

    Weizmann Institute of Science, Israel

    4 publications · 465 citations

    4

    h-index

  4. AJ
    Aron J. Cohen

    University of Cambridge, United Kingdom

    3 publications · 350 citations

    3

    h-index

  5. EK
    Eli Kraisler

    Hebrew University of Jerusalem, Israel

    3 publications · 290 citations

    3

    h-index

1–5 of 185

Institutions

112

  1. Centre National de la Recherche Scientifique

    Paris, France

    7 h-index

    14 publications

    399 citations

  2. University of Cambridge

    Cambridge, United Kingdom

    6 h-index

    8 publications

    787 citations

  3. University of the Basque Country

    Leioa, Spain

    6 h-index

    9 publications

    1K citations

  4. University of Bayreuth

    Bayreuth, Germany

    5 h-index

    13 publications

    594 citations

  5. Institut de Chimie de Strasbourg

    Strasbourg, France

    4 h-index

    6 publications

    216 citations

  6. University of Rome Tor Vergata

    Rome, Italy

    4 h-index

    5 publications

    324 citations

  7. Weizmann Institute of Science

    Rehovot, Israel

    4 h-index

    7 publications

    755 citations

  8. European Theoretical Spectroscopy Facility

    Liège, Belgium

    4 h-index

    10 publications

    893 citations

1–8 of 112

Venues

  1. Physical Review Letters

    PRL · 16 publications · 4.8K citations

    16

    h-index

  2. The Journal of Chemical Physics

    18 publications · 1.4K citations

    15

    h-index

  3. Physical Review B

    PRB · 7 publications · 367 citations

    7

    h-index

  4. Physical Review A

    PRA · 7 publications · 349 citations

    7

    h-index

  5. Europhysics Letters (EPL)

    3 publications · 135 citations

    3

    h-index

1–5