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Electron Correlations and Materials Properties 2 pp 237–252Cite as

Can Density Functional Theory Describe Strongly Correlated Electronic Systems?

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Abstract

Summarized here are the ideas of Kohn-Sham spin density functional theory for the many-electron ground state, the effects of exchange and correlation, and the limits of weak and strong correlation. In particular, the suppression of electron number fluctuations in one-electron regions due to correlation is discussed. While the standard local spin density and generalized gradient approximations (GGA’s) for the exchange-correlation energy can work for certain cases of strong correlation, they fail dramatically for others. It is suggested that the new self-correlation-free meta-GGA’s and self-interaction-free hyper-GGA’s might yield a more reliable description of strong correlation.

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Author information

Authors and Affiliations

  1. Department of Physics and Quantum Theory Group, Tulane University, New Orleans, LA, 70118, USA

    John P. Perdew

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  1. John P. Perdew
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Editor information

Editors and Affiliations

  1. Lawrence Livermore National Laboratory, Livermore, California, USA

    A. Gonis

  2. California State University—Northridge, Northridge, California, USA

    N. Kioussis

  3. U.S. Army Research Office, Research Triangle Park, North Carolina, USA

    M. Ciftan

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© 2002 Springer Science+Business Media New York

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Perdew, J.P. (2002). Can Density Functional Theory Describe Strongly Correlated Electronic Systems?. In: Gonis, A., Kioussis, N., Ciftan, M. (eds) Electron Correlations and Materials Properties 2. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-3760-8_13

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  • DOI: https://doi.org/10.1007/978-1-4757-3760-8_13

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4419-3392-8

  • Online ISBN: 978-1-4757-3760-8

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