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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials pp 31–46Cite as

The Language of Band Theory

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Part of the book series: Lecture Notes in Chemistry ((LNC,volume 67))

Summary

Reciprocal space vectors, Bloch Functions and periodic boundary conditions are introduced and discussed. The π bands of two-dimensional graphite are obtained with a model hamiltonian and are used to illustrate the effect of translational symmetry on the wave function.

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Reference

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Author information

Authors and Affiliations

  1. Department of Inorganic, Physical and Materials Chemistry, University of Torino, via Giuria 5, I-10125, Torino, Italy

    Roberto Dovesi

Authors
  1. Roberto Dovesi
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Editor information

Editors and Affiliations

  1. Department of Inorganic, Physical and Materials Chemistry, University of Torino, Via Giuria 5, I-10125, Torino, Italy

    Cesare Pisani

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© 1996 Springer-Verlag Berlin Heidelberg

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Dovesi, R. (1996). The Language of Band Theory. In: Pisani, C. (eds) Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials. Lecture Notes in Chemistry, vol 67. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-61478-1_2

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  • DOI: https://doi.org/10.1007/978-3-642-61478-1_2

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-61645-0

  • Online ISBN: 978-3-642-61478-1

  • eBook Packages: Springer Book Archive

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