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A Primer in Density Functional Theory pp 1–55Cite as

Density Functionals for Non-relativistic Coulomb Systems in the New Century

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Abstract

The material world of everyday experience, as studied by chemistry and condensed-matter physics, is built up from electrons and a few (or at most a few hundred) kinds of nuclei . The basic interaction is electrostatic or Coulombic: An electron at position r is attracted to a nucleus of charge Z at R by the potential energy −Z/|r − R|, a pair of electrons at r and r′ repel one another by the potential energy 1/|r − r′|, and two nuclei at R and R′ repel one another as Z′Z/|R − R′|. The electrons must be described by quantum mechanics, while the more massive nuclei can sometimes be regarded as classical particles. All of the electrons in the lighter elements, and the chemically important valence electrons in most elements, move at speeds much less than the speed of light, and so are non-relativistic.

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Authors and Affiliations

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

    John P. Perdew

  2. Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, 14195, Berlin, Germany

    Stefan Kurth

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  1. Departamento de Física, Universidade de Coimbra, Rua Larga, 3004 — 516, Coimbra, Portugal

    Carlos Fiolhais  & Fernando Nogueira  & 

  2. Donostia International Physics Center (DIPC), P. Manuel Lardizábal 4, 20080, San Sebastián, Spain

    Miguel A. L. Marques

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Perdew, J.P., Kurth, S. (2003). Density Functionals for Non-relativistic Coulomb Systems in the New Century. In: Fiolhais, C., Nogueira, F., Marques, M.A.L. (eds) A Primer in Density Functional Theory. Lecture Notes in Physics, vol 620. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-37072-2_1

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