Beyond the Jellium and the LCAO: An Outline

  • Eleftherios N. EconomouEmail author
Part of the Graduate Texts in Physics book series (GTP)


A systematic theoretical and computational approach to obtaining properties of solids starts with four approximation (Born-Oppenheimer, oneelectron, harmonic, and periodicity). The most justified and effective approach to the one–electron approximation is based on the so–called density functional theory. However, there are phenomena, outlined in this chapter and examined later on, the very existence of which is related to the violation of one or more of these four approximations (broken periodicity, e.g., at interfaces, anharmonic interactions leading e.g., to melting, special el–el correlation producing, e.g., magnetic phases and superconductivity, and electron-phonon interactions giving rise, e.g., to attractive indirect el–el forces). Perturbation theory and other more advanced formalisms have been developed to face these challenges.


Density Functional Theory Screw Dislocation Local Density Approximation Edge Dislocation Cooper Pair 
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Further Reading

  1. In the book by Kaxiras [SS83], a derivation of Ex as well as a clear presentation of DFT (pp. 58-66) is given (pp. 47–54).Google Scholar
  2. The subject of dislocations and failure of solids is treated in many books on solid state, such as Kittel [SS74], Kaxiras [SS83], Marder [SS82], etc.Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2010

Authors and Affiliations

  1. 1.Foundation for Research and Technology-Hellas (FORTH) Department of PhysicsUniversity of CreteHeraklionGreece

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