Charge self-consistent density functional theory plus ghost
rotationally-invariant slave-boson theory for correlated materials
Charge self-consistent density functional theory plus ghost
rotationally-invariant slave-boson theory for correlated materials
We present a charge self-consistent density functional theory combined with the ghost-rotationally-invariant slave-boson (DFT+gRISB) formalism for studying correlated materials. This method is applied to SrVO$_3$ and NiO, representing prototypical correlated metals and charge-transfer insulators. For SrVO$_3$, we demonstrate that DFT+gRISB yields an accurate equilibrium volume and effective mass close to …