2 papers
cond-mat.str-el2025
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…
cond-mat.str-el2025
Hubbard dimer physics and the magnetostructural transition in the correlated cluster material NbCl
Alberto Carta, Peter Mlkvik, Fabian Grahlow +5
We present a combined computational and experimental study of NbCl, a correlated layered material containing Nb trimers, through the lens of competing intra- and interclust…