Configuration Expansion by Means of Pseudonatural Orbitals

  • Wilfried Meyer
Part of the Modern Theoretical Chemistry book series (MTC, volume 3)

Abstract

The configuration interaction (CI) method as a general approach to solving the many-electron Schrödinger equation to—in principle—any desired accuracy, has been described in this volume by Shavitt. We refer to that chapter for all basic concepts of the CI method and an outline of its merits and its computational problems.

Keywords

Correlation Energy Configuration Interaction Natural Orbital Pair Function Configuration Function 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 1977

Authors and Affiliations

  • Wilfried Meyer
    • 1
  1. 1.Institut für Physikalische ChemieJohannes Gutenberg UniversitätMainzGermany

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