Chapter 32. Nonlinear Optical Properties

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch32

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) Nonlinear Optical Properties, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch32

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:

  • polarizability;
  • hyperpolarizability;
  • second hyperpolarizability;
  • ab initio;
  • DFT;
  • VB-CT;
  • RPA;
  • SOS;
  • DHF;
  • TDHF;
  • TDGI;
  • CPHF;
  • CCSD;
  • CISD;
  • MP4;
  • MP3;
  • MP2;
  • SCF

Summary

Chapter 32 discusses techniques for computing nonlinear optical properties. A brief overview of nonlinear optical properties is given. Various algorithms for computing these properties are discussed. The impact of the choice of level of theory is examined.

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