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Density Functional Theory for Solids

  • Chapter
The Electronic Structure of Complex Systems

Part of the book series: NATO ASI Series ((NSSB,volume 113))

Abstract

A considerable part of all efforts in electronic structure theory is directed towards the understanding of the energetics of atoms, molecules and solids. Problems of interest are for instance the binding energy of molecules and solids, the compressibility of solids, the heat of formation of compounds, the energy associated with structural changes in solids and, more recently, the determination of the spatial arrangement of atoms on the surfaces of solids. These problems are often of considerable interest as far as practical applications are concerned. With a few exceptions, notably the energetics- of atoms and small molecules for which there exist sophisticated and quantitavely accurate methods, density-functional theory is presently our only means of attacking these complicated problems. Fortunately, as will become evident from the different lectures of this school, density-functional theory is capable of yielding not only insight into the qualitative aspects of these problems but can also provide rather accurate quantitative answers to them. This is the basis for the large and growing interest in density-functional methods in the last decade. This interest is reflected in several recent review articles on the subject and for further information we refer the reader, e.g., to Ref. 1 and Ref. 2. The present notes rely heavily on Ref. 1 and they can be described as an abbreviated and edited version of Ref. 1 but with new material added.

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Authors and Affiliations

  1. IBM Thomas J. Watson Research Center, Yorktown Heights, New York, 10598, USA

    Ulf von Barth

  2. Department of Theoretical Physics, University of Lund, 22362, Lund, Sweden

    Ulf von Barth

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  1. Ulf von Barth
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Editors and Affiliations

  1. Rijksuniversiteit, Ghent, Belgium

    P. Phariseau

  2. SERC Daresbury Laboratory, Daresbury, UK

    W. M. Temmerman

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© 1984 Plenum Press, New York

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von Barth, U. (1984). Density Functional Theory for Solids. In: Phariseau, P., Temmerman, W.M. (eds) The Electronic Structure of Complex Systems. NATO ASI Series, vol 113. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-2405-8_3

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  • DOI: https://doi.org/10.1007/978-1-4613-2405-8_3

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