An Introduction to Configuration Interaction Theory

Written by: C. David Sherrill (Georgia Institute of Technology)

Professor in the School of Chemistry and Biochemistry at the Georgia Institute of Technology and the Co-director of the Center for Computational Molecular Science, C. David Sherrill wrote this free online quantum chemistry textbook on configuration interaction theory. It can be freely accessed via a series of web pages on the Georgia Tech website.

Chapter Titles of An Introduction to Configuration Interaction Theory Online Textbook

  • Introduction and Notation
  • Fundamental Concepts
  • The Variational Theorem
  • Reducing the Size of the CI Space
  • Second Quantization
  • Determinant-Based CI
   

View this Free Online Material at the source:
 
An Introduction to Configuration Interaction Theory


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