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Many-Body Methods in Quantum Chemistry pp 215–232Cite as

Quadratic Configuration Interaction Method: Recent Applications and Comparison with Other Correlation Techniques

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Part of the book series: Lecture Notes in Chemistry ((LNC,volume 52))

Abstract

The quadratic configuration interaction (QCI) technique of electron correlation is examined in detail including comparisons with several approximate coupled cluster methods. The nature of the configuration expansion coefficients which result from a solution of the QCI equations is discussed. Different correlation methods are compared by performing a perturbation expansion of the correlation energy up to fifth order. Finally, the range of applicability of the QCI methods is evaluated in a critical manner by performing applications on several small molecules.

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Author information

Authors and Affiliations

  1. AT&T Bell Laboratories, Murray Hill, NJ, 07974, USA

    Krishnan Raghavachari

  2. Department of Chemistry, Carnegie-Mellon University, Pittsburgh, Pennsylvania, 15213, USA

    John A. Pople & Martin Head-Gordon

Authors
  1. Krishnan Raghavachari
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  2. John A. Pople
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  3. Martin Head-Gordon
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Editor information

Editors and Affiliations

  1. School of Chemistry, Tel Aviv University, 69 978, Tel Aviv, Israel

    U. Kaldor

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© 1989 Springer-Verlag Berlin Heidelberg

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Raghavachari, K., Pople, J.A., Head-Gordon, M. (1989). Quadratic Configuration Interaction Method: Recent Applications and Comparison with Other Correlation Techniques. In: Kaldor, U. (eds) Many-Body Methods in Quantum Chemistry. Lecture Notes in Chemistry, vol 52. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93424-7_10

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  • DOI: https://doi.org/10.1007/978-3-642-93424-7_10

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-51027-7

  • Online ISBN: 978-3-642-93424-7

  • eBook Packages: Springer Book Archive

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