Physical Review Letters
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Bridging Constrained Random-Phase Approximation and Linear Response Theory for Computing Hubbard Parameters
Author(s): Alberto Carta, Iurii Timrov, Sophie Beck, and Claude Ederer
The predictive accuracy of popular extensions to density-functional theory (DFT) such as $\mathrm{DFT}+U$ and DFT plus dynamical mean-field theory ($\mathrm{DFT}+\mathrm{DMFT}$) hinges on using realistic values for the screened Coulomb interaction $U$. Here, we present a systematic comparison of the… [Phys. Rev. Lett. 137, 046503] Published Mon Jul 20, 2026