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The Pair Density in Approximate Density Functionals: The Hidden Agent

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Many-Electron Densities and Reduced Density Matrices

Part of the book series: Mathematical and Computational Chemistry ((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, 3–7]. We review recent advances from a pair density perspective.

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Authors and Affiliations

  1. Departments of Chemistry and Physics, Rutgers University, 610 Taylor Road, Piscataway, NJ, 08854, USA

    Neepa T. Maitra & Kieron Burke

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  1. Neepa T. Maitra
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  2. Kieron Burke
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Editors and Affiliations

  1. Florida State University, Tallahassee, Florida, USA

    Jerzy Cioslowski

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Maitra, N.T., Burke, K. (2000). The Pair Density in Approximate Density Functionals: The Hidden Agent. In: Cioslowski, J. (eds) Many-Electron Densities and Reduced Density Matrices. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4211-7_9

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  • DOI: https://doi.org/10.1007/978-1-4615-4211-7_9

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-6890-8

  • Online ISBN: 978-1-4615-4211-7

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