DFT+U single-particle eigenvalue gaps match fundamental gaps from total energy differences for perfect crystals but fail for defects and molecules, proven analytically for every published functional variant.
Title resolution pending
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
citation-role summary
background 2
citation-polarity summary
fields
cond-mat.str-el 2years
2026 2verdicts
UNVERDICTED 2roles
background 2polarities
background 2representative citing papers
Hubbard and Emery models produce similar physics for cuprates but differ quantitatively in spectra, transport, and doping-dependent features, with good experimental agreement when using stronger coupling in the Hubbard model.
citing papers explorer
-
Validity of DFT+U band gaps in all its known functional forms
DFT+U single-particle eigenvalue gaps match fundamental gaps from total energy differences for perfect crystals but fail for defects and molecules, proven analytically for every published functional variant.
-
Hubbard vs. Emery model: spectra, transport and relevance for cuprates
Hubbard and Emery models produce similar physics for cuprates but differ quantitatively in spectra, transport, and doping-dependent features, with good experimental agreement when using stronger coupling in the Hubbard model.