320 citations · 371 across the 4 of their papers we have counts for
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The role of non-spherical double counting in DFT+DMFT: total energy and structural optimization of pnictide superconductors
Oleg Kristanovski, Alexander Shick, Frank Lechermann +1
A simple scheme for avoiding non-spherical double counting in the combination of density func- tional theory with dynamical mean-field theory (DFT+DMFT)is developed. It is applied…
Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO
Frank Lechermann, Wolfgang Heckel, Oleg Kristanovski +1
Oxygen-deficient TiO in the rutile structure as well as the TiO Magn{é}li phase is investigated within the charge self-consistent combination of density functional theo…
Quantum-Many-Body Intermetallics: Phase Stability of FeAl and Small-Gap Formation in FeVAl
Oleg Kristanovski, Raphael Richter, Igor Krivenko +2
Various intermetallic compounds harbor subtle electronic correlation effects. To elucidate this fact for the Fe-Al system, we perform a realistic many-body investigation based on t…