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A mathematical insight into ab initio simulations of the solid phase

  • X. Blanc
Part of the Lecture Notes in Chemistry book series (LNC, volume 74)

Abstract

We give here an introduction to the language of ab initio solid-state theory. Starting from the intrinseque symmetries of a perfect crystal, we show how it is related to band structure theory and give a brief overview of the techniques in use to simulate such systems.

Keywords

Brillouin Zone Periodic Potential Schrodinger Equation Interstitial Region Schrodinger Operator 
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-Verlag Berlin Heidelberg 2000

Authors and Affiliations

  • X. Blanc
    • 1
  1. 1.Ecole Normale SupérieureParis Cedex 5France

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