The Pair Density in Approximate Density Functionals: The Hidden Agent

  • Neepa T. Maitra
  • Kieron Burke
Part of the Mathematical and Computational Chemistry book series (MACC)

Abstract

In this chapter, we review the connection between density functional methods [1] and wave function methods [2]. Simple models of the pair density are shown to lead naturally to the local density approximation for exchange and correlation. The rigorous basis for this approach is exact density functional theory [1, 3, 4, 5, 6, 7]. We review recent advances from a pair density perspective.

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Copyright information

© Springer Science+Business Media New York 2000

Authors and Affiliations

  • Neepa T. Maitra
    • 1
  • Kieron Burke
    • 1
  1. 1.Departments of Chemistry and PhysicsRutgers UniversityPiscatawayUSA

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