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Showing 1 to 1 of 1 for “"Renormalized Hubbard Ueff values."”.
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Hubbard-corrected density functional theory : sensitivity to projection-space and renormalization of Coulomb interaction.
Density functional theory augmented with a Hubbard correction (DFT+U ) has become a widely used framework for modeling materials in which localized d or f electrons give rise to strong electronic correlations. By introducing an explicit on-site Coulomb interaction, DFT+U can substantially improve …