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)


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.


Brillouin Zone Periodic Potential Schrodinger Equation Interstitial Region Schrodinger Operator 
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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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