134 citations · 333 across the 6 of their papers we have counts for
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Real-space mapping of electronic orbitals
Stefan Löffler, Matthieu Bugnet, Nicolas Gauquelin +5
Electronic states are responsible for most material properties, including chemical bonds, electrical and thermal conductivity, as well as optical and magnetic properties. Experimen…
Charge self-consistency in density functional theory + dynamical mean field theory: k-space reoccupation and orbital order
Sumanta Bhandary, Elias Assmann, Markus Aichhorn +1
We study effects of charge self-consistency within the combination of density functional theory (DFT; Wien2k) with dynamical mean field theory (DMFT; w2dynamics) in a basis of maxi…
Importance of effective dimensionality in manganese pnictides
Manuel Zingl, Elias Assmann, Priyanka Seth +2
In this paper we investigate the two manganese pnictides BaMnAs and LaMnAsO, using fully charge self-consistent density functional plus dynamical mean-field theory calculat…