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Electron Correlations in Disordered Alloys and at Metallic Surfaces

  • Václav Drchal
  • Václav Janiš
  • Josef Kudrnovský
Chapter

Abstract

The density functional theory (DFT)1 supplemented by the local density approximation (LDA) or generalized gradient approximation (GGA) in which the electron-correlation part is treated on the basis of the electron gas model is a highly reliable method for evaluation of the ground state properties of molecules and solids2. However, the DFT fails in some cases, e.g., for excitation spectra of solids or in the evaluation of the gap in insulators and semiconductors and also for solids (such as lanthanides and actinides or transition-metal oxides) whose electronic structure is better described in terms of atomic-like electronic states rather than in terms of the electron gas model on which the LDA and GGA are based.

Keywords

Green Function Generalize Gradient Approximation Electron Correlation Local Density Approximation Coherent Potential Approximation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 2002

Authors and Affiliations

  • Václav Drchal
    • 1
  • Václav Janiš
    • 1
  • Josef Kudrnovský
    • 1
  1. 1.lnstitute of PhysicsAcademy of Sciences of the Czech RepublicPraha 8Czech Republic

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