TITLE

On the ab initio evaluation of Hubbard parameters. II. kappa-(BEDT-TTF)[sub 2]Cu[N(CN)[sub 2]]Br

AUTHOR(S)
Fortunelli, Alessandro; Painelli, Anna
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/15/1997, Vol. 106 Issue 19, p8051
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Reports that a proposed approach for ab initio evaluation of Hubbard parameters is applied to BEDT-TTF dimers. Positioning of the dimers; Description of the electronic structure of the dimers by the standard Extended Hubbard Model.
ACCESSION #
4228014

 

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