articleThe Journal of Chemical PhysicsApr 17, 2012BRONZE OA

Perspective on density functional theory

KBKieron Burke

University of California, Irvine

PubMed
Indexed inarxivcrossrefpubmed

Abstract

Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches of chemistry and materials science. Electronic structure problems in a dazzling variety of fields are currently being tackled. However, DFT has many limitations in its present form: too many approximations, failures for strongly correlated systems, too slow for liquids, etc. This perspective reviews some recent progress and ongoing challenges.

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1,624
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55.08
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100%
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131
Citations per year

Authors

1
  • KB
    Kieron BurkeCorresponding

    University of California, Irvine

Topics & keywords

Keywords
  • Perspective (graphical)
  • Density functional theory
  • Variety (cybernetics)
  • Field (mathematics)
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