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Showing 1 to 1 of 1 for “"substitutionelle Unordnung"”.
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Electronic structure of strongly correlated low-dimensional spin ½ systems: cuprates and vanadates
In the first two chapters we presented the basics of density functional theory and semiempirical LSD+U approximation, which was implemented in the full-potential local-orbital (FPLO) minimal-basis calculation scheme. In the third chapter we tested the implemented version of LSDA+U on 3d …