Advertisement

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

Active Space Correlation Energy Spectroscopic Parameter Couple Cluster Excitation Operator 
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.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Copyright information

© Springer Fachmedien Wiesbaden 2016

Authors and Affiliations

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

Personalised recommendations