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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... -
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...
