Chapter 33. Relativistic Effects

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch33

Book Title

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Additional Information

How to Cite

Young, D. C. (2002) Relativistic Effects, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch33

Author Information

  1. Cytoclonal Pharmaceutics Inc.

Publication History

  1. Published Online: 25 APR 2002
  2. Published Print: 21 FEB 2001

ISBN Information

Print ISBN: 9780471333685

Online ISBN: 9780471220657

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CHAPTER TOOLS

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Keywords:

  • spin-orbit coupling;
  • mass defect;
  • spin-spin coupling;
  • DHF;
  • Dirac equation;
  • RECP;
  • ZORA;
  • Darwin term

Summary

Chapter 33 discusses relativistic calculations. Terms included in the Hamiltonian by a relativistic quantum mechanical derivation are discussed. Adapting nonrelativistic techniques is discussed. The effect of relativistic effects on chemistry is examined.

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