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Modeling of the exchange interaction by density functional theory coupled to ...
Density Functional Theory (DFT) combined with the Broken Symmetry (BS) method is today widely used in the field of molecular magnetism for the computation of exchange... -
Magnetic features in REMeO3 perovskites and their solid solutions (RE=rare-ea...
International audience -
Structure and magnetism of catena-poly[copper(II)-μ-dichloro-l-lysine]hemihyd...
International audience -
Local wavefunctions in the tight-binding theory
The energy band interpolation is a well known problem in solid state theory. It is often disconnected from the consideration of wavefunctions, in particular in the...
