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cond-mat.str-el2001
Importance of Correlation Effects on Magnetic Anisotropy in Fe and Ni
Imseok Yang, Sergej Y. Savrasov, Gabriel Kotliar
We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and non-collinearity of intra--atomi…
cond-mat.str-el2001
Spectral Density Functionals for Electronic Structure Calculations
S. Y. Savrasov, G. Kotliar
We introduce a functional of the local spectral electron density which can be used to to compute the total energy and the local spectral function of strongly-correlated materials.…