Theoretical methods

  • Christopher J. Stein
Chapter
Part of the BestMasters book series (BEST)

Abstract

An accurate description of the electronic structure of a molecule needs to take into account the correlation energy, which is defined as the difference between the exact energy and the Hartree-Fock (HF) energy. The choice of the method applied to calculate the correlation energy depends on the nature of the correlation.

Keywords

Chromium Stein Verse Onal Element 

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Copyright information

© Springer Fachmedien Wiesbaden 2016

Authors and Affiliations

  • Christopher J. Stein
    • 1
  1. 1.ZurichSwitzerland

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