Sohrab Ismail-Beigi
November 19, 2013
Abstract:
The idea of these notes is to look at localized Hubbard-like models for electron correlation effects and see what one can do exactly (very little) and then more approximately within a mean-field approximation such as DFT or Hartree-Fock or the like. One of the main aims is to present background information as well as some derivations and explanations of the various outcomes that are used in DFT+U calculations.
To download the article click on the link below:
http://volga.eng.yale.edu/sites/default/files/files/UJ-form-of-Vee.pdf
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