Chapter 25. Electronic Excited States

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch25

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) Electronic Excited States, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch25

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 states;
  • CIS;
  • use of initial guess;
  • block diagonal Hamiltonians;
  • higher roots of a CI;
  • neglecting a basis function;
  • imposing orthogonality;
  • path integrals;
  • semiempirical;
  • state averaging;
  • electronic spectral intensities;
  • eximers;
  • HF;
  • GVB;
  • XCIS;
  • CIS(D);
  • CI;
  • CC;
  • ZINDO;
  • INDO/S

Summary

Chapter 25 examines an array of techniques for describing electronic excited states. The relative merits of these techniques are discussed.

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