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Density Functional Theory

  • Book
  • © 1995

Overview

Editors:
  1. Eberhard K. U. Gross

    1. Institute for Theoretical Physics, Julius Maximilian University, Würzburg, Germany

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  2. Reiner M. Dreizler

    1. Institute for Theoretical Physics, Johann Wolfgang Goethe University, Frankfurt am Main, Germany

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    You can also search for this editor in PubMed   Google Scholar

Part of the book series: NATO Science Series B: (NSSB, volume 337)

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Table of contents (26 chapters)

  1. Front Matter

    Pages i-xiv
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  2. Fundamental Aspects and Approximate Functionals

    1. Front Matter

      Pages 1-1
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  3. Atoms, Molecules and Clusters

    1. Front Matter

      Pages 235-235
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    2. General Reviews

      1. Topology of Electron Density and Open Quantum Systems
        • Richard F. W. Bader
        Pages 237-272
      2. Molecules and Molecular Dynamics
        • R. O. Jones
        Pages 273-297
      3. Applications of Density Functional Theory in Chemistry
        • N. H. March
        Pages 299-322
      4. Simple Views of Metallic Clusters
        • John P. Perdew
        Pages 323-338

  4. Solids: Bulk and Surface Properties

    1. Front Matter

      Pages 391-391
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    2. General Reviews

      1. Metallic Surfaces and Density Functional Theory
        • John F. Dobson
        Pages 393-430
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Keywords

About this book

The first Nato Advanced Studies Institute entirely devoted to density functional theory was held in Portugal in September 1983. The proceedings of this School, publis­ hed in early 1985, is still used as a standard reference covering the basic development of the theory and applications in atomic, molecular, solid state and nuclear physics. Ho­ wever, astonishing progress has been achieved in the intervening years: The foundations of the theory have been extended to cover excited states and time dependent problems more fully, density functional theory of classical liquids and superconducting systems has been addressed and extensions to relativistic, that is, field theoretical systems, as well as a more thorough discussion of magnetic field problems have been presented. In addition, new functionals have been devised, for instance under the heading of ge­ neralised gradient expansions, and the number of applications in the traditional fields has steadily increased, in particular in chemistry. Applications in new fields, as for instance the structure of atomic clusters and the marriage of density functional theory with molecular dynamics and simulated annealing, have provided additional impetus to the field of density functional theory.

Editors and Affiliations

  • Institute for Theoretical Physics, Julius Maximilian University, Würzburg, Germany

    Eberhard K. U. Gross

  • Institute for Theoretical Physics, Johann Wolfgang Goethe University, Frankfurt am Main, Germany

    Reiner M. Dreizler

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