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3. Methods for Band Structure Calculations in Solids

  • A. Ernst
  • M. Lüders
Part I Basic Description of Electrons and Photons in Crystals
Part of the Lecture Notes in Physics book series (LNP, volume 642)

Abstract

The calculation of the ground-state and excited-state properties of materials is one of the main goals of condensed matter physics. While the most successful first-principles method, the density-functional theory (DFT), provides, in principle, the exact ground-state properties, the many-body method is the most suitable approach for studying excited-state properties of extended systems. Here we discuss general aspects of the Green’s function and different approximations for the self-energy to solve the Dyson equation. Further we present some tools for solving the Dyson equation with several approximations for the self-energy: a highly precise combined basis method providing the band structure in the Kohn-Sham approximation, and some implementations for the random-phase approximation.

Keywords

Plane Wave Dyson Equation LMTO Method Linearise Augmented Plane Wave Method Exact Ground State Energy 
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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Authors and Affiliations

  • A. Ernst
    • 1
  • M. Lüders
    • 2
  1. 1.Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, 06120 HalleGermany
  2. 2.Daresbury Laboratory, Warrington WA4 4ADUnited Kingdom

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