20 citations · 40 across the 5 of their papers we have counts for
5 papers
Bridging constrained random-phase approximation and linear response theory for computing Hubbard parameters
Alberto Carta, Iurii Timrov, Sophie Beck +1
The predictive accuracy of popular extensions to density-functional theory (DFT) such as DFT+U and DFT plus dynamical mean-field theory (DFT+DMFT) hinges on using realistic values…
Importance of ligand on-site interactions for the description of Mott-insulators in DFT+DMFT
Alberto Carta, Anwesha Panda, Claude Ederer
Calculations combining density functional theory (DFT) and dynamical mean-field theory (DMFT) for transition metal (TM) oxides and similar compounds usually focus on improving the…
Explicit demonstration of the equivalence between DFT+U and the Hartree-Fock limit of DFT+DMFT
Alberto Carta, Iurii Timrov, Peter Mlkvik +2
Several methods have been developed to improve the predictions of density functional theory (DFT) in the case of strongly correlated electron systems. Out of these approaches, DFT+…
Emergence of a potential charge disproportionated insulating state in SrCrO
Alberto Carta, Anwesha Panda, Claude Ederer
We use a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT) to investigate the potential emergence of a charge-disproportionated insulating phase…
Evidence for Jahn-Teller-driven metal-insulator transition in strained SrCrO3 from first principles calculations
Alberto Carta, Claude Ederer
Using density-functional theory (DFT) and its extension to DFT+, we propose a possible scenario for a strain-induced metal-insulator transition which has been reported recently…