3. The Electronic Level, I: An Overview of Band Theory

  1. John. N. Lalena Consultant Formerly Senior Research Scientist1 and
  2. David. A. Cleary Chairman2

Published Online: 27 JAN 2005

DOI: 10.1002/0471714895.ch3

Principles of Inorganic Materials Design

Principles of Inorganic Materials Design

How to Cite

Lalena, John. N. and Cleary, David. A. (2005) The Electronic Level, I: An Overview of Band Theory, in Principles of Inorganic Materials Design, John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/0471714895.ch3

Author Information

  1. 1

    Honeywell Electronic Materials, USA

  2. 2

    Department of Chemistry Gonzaga University, USA

Publication History

  1. Published Online: 27 JAN 2005
  2. Published Print: 8 APR 2005

ISBN Information

Print ISBN: 9780471434184

Online ISBN: 9780471714897

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Keywords:

  • random-phase approximation (RPA);
  • Bloch sum of atomic orbitals basis set (LCAO method);
  • local density approximation (LDA)

Summary

This chapter contains sections titled:

  • The Many-Body Schrödinger Equation

  • Bloch's Theorem

  • Reciprocal Space

  • A Choice of Basis Sets

  • Understanding Band-Structure Diagrams

  • Breakdown of the Independent Electron Approximation

  • Density Functional Theory: An Alternative to the Hartree–Fock Approach

  • References