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cond-mat.str-el2019★ 24 cited
Influence of magnetic ordering on the spectral properties of binary transition metal oxides
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
Using the ab initio embedded DMFT (eDMFT) approach, we study the effect of long-range magnetic ordering on the spectral properties in the binary transition metal oxides, and find t…
cond-mat.str-el2019★ 79 cited
Systematic beyond-DFT study of binary transition metal oxides
Subhasish Mandal, Kristjan Haule, Karin M. Rabe +1
Various methods going beyond density-functional theory (DFT), such as DFT+U, hybrid functionals, meta-GGAs, GW, and DFT-embedded dynamical mean field theory (eDMFT), have been deve…