An Average-of-Configuration Method for Using Kohn−Sham Density Functional Theory in Modeling Ligand-Field Theory †
Anthon, Christian, Bendix, Jesper, Schäffer, Claus E.Volume:
42
Language:
english
Journal:
Inorganic Chemistry
DOI:
10.1021/ic0262233
Date:
June, 2003
File:
PDF, 134 KB
english, 2003