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Showing 1 to 1 of 1 for “"LSDA+U"”.
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Electronic structure of strongly correlated low-dimensional spin ½ systems: cuprates and vanadates
… chapter we tested the implemented version of LSDA+U on 3d transitional metal monoxides. Essential improvement of the spectroscopic properties was obtained. A simple model describing the value and direction of the magnetic moment of a transition metal ion was presented. The model visualizes the …