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Relativistic and Electron Correlation Effects in Molecules and Solids pp 367–409Cite as

Density Functional Theory: The Modern Treatment of Electron Correlations

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Part of the book series: NATO ASI Series ((NSSB,volume 318))

Abstract

The basic idea of density functional theory is to describe a many-electron system exclusively and completely in terms of its ground-state density, i.e., in terms of the ordinary one-particle density (not the density matrix). This means two things:

  1. 1.

    Every observable quantity of a stationary quantum mechanical system can be calculated, in principle exactly, from the ground-state density alone, i.e. every observable quantity can be written as a functional of the ground-state density.

  2. 2.

    The ground-state density can be calculated, in principle exactly, from a variational principle involving only the density.

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Authors and Affiliations

  1. Physikalisches Institut, Universität Würzburg, Am Hubland, W-8700, Würzburg, Germany

    E. K. U. Gross & Stefan Kurth

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  1. E. K. U. Gross
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  1. Simon Fraser University, Burnaby, British Columbia, Canada

    G. L. Malli

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Gross, E.K.U., Kurth, S. (1994). Density Functional Theory: The Modern Treatment of Electron Correlations. In: Malli, G.L. (eds) Relativistic and Electron Correlation Effects in Molecules and Solids. NATO ASI Series, vol 318. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-1340-1_13

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