most citedExchange parameters of strongly correlated materials: extraction from spin-polarised density functional theory plus dynamical mean field theory

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cond-mat.str-el2015★ 1 cited

Exchange parameters of strongly correlated materials: extraction from spin-polarised density functional theory plus dynamical mean field theory

Y. O. Kvashnin, O. Grånäs, I. Di Marco +3

In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters () of strongly correlated systems, based on first-principles full-pote…