Quantifying the effects of the self-interaction error in density functional theory: When do the delocalized states appear? II. Iron-oxo complexes and closed-shell substrate molecules
Johansson, Adam Johannes, Blomberg, Margareta R. A., Siegbahn, Per E. M.Volume:
129
Year:
2008
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.2991180
File:
PDF, 553 KB
english, 2008