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A Primer in Density Functional Theory pp 185–217Cite as

Density Functional Theories and Self-energy Approaches

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Abstract

One of the fundamental problems in condensed-matter physics and quantum chemistry is the theoretical study of electronic properties. This is essential to understand the behaviour of systems ranging from atoms, molecules, and nanostructures to complex materials. Since electrons are governed by the laws of quantum mechanics, the many-electron problem is, in principle, fully described by a Schrödinger equation (supposing the nuclei to be fixed). However, the electrostatic repulsion between the electrons makes its numerical resolution an impossible task in practice, even for a relatively small number of particles.

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Authors and Affiliations

  1. Department of Physics, University of York, Heslington, York, YO10 5DD, UK

    Rex W. Godby

  2. Departamento de Física Fundamental, Universidad Nacional de Educación a Distancia, Apto. 60141, 28080, Madrid, Spain

    Pablo García-González

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  1. Rex W. Godby
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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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Godby, R.W., García-González, P. (2003). Density Functional Theories and Self-energy Approaches. 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_5

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