Exercises with DFT+U
Detailed check of the LDA + U and GGA + U corrected method for defect calculations in wurtzite ZnO - ScienceDirect
LDA+U/GGA+U calculations of structural and electronic properties of CdTe: Dependence on the effective U parameter - ScienceDirect
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
Self-consistent GGA+U - List of Frontiers' open access articles
Spin-polarized GGA+U (Ueff = 6 eV for Cu 3d) calculated band structure... | Download Scientific Diagram
A density functional calculations on electronic, magnetic, optical, mechanical and half-metallic properties in molybdenum based pnictogens in GGA and GGA+U approach - ScienceDirect
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
Figure 2 | Effect of Fe Concentration on Fe-Doped Anatase TiO2 from GGA + U Calculations
Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
Comparative density functional studies of pristine and doped bismuth ferrite polymorphs by GGA+U and meta-GGA SCAN+U - Physical Chemistry Chemical Physics (RSC Publishing)
Correlation Effects on Lattice Relaxation and Electronic Structure of ZnO within the GGA+U Formalism | The Journal of Physical Chemistry C
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
Limitation and extrapolation correction of the GGA + U formalism: a case study of Nb-doped anatase TiO2 - Journal of Materials Chemistry C (RSC Publishing)
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3 | Scientific Reports
arXiv:1607.03945v2 [cond-mat.str-el] 11 Jan 2017
![PDF] Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce. | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/f4be3db1b014aafbb68ececfc497215839c089d5/2-Table1-1.png "PDF] Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce. | Semantic Scholar")
PDF] Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce. | Semantic Scholar
GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides | SpringerLink
Molecules | Free Full-Text | GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase
![PDF] Combined hybrid functional and DFT+U calculations for metal chalcogenides. | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/3c51f9659c652f2fe2f1ea69b6df53c5cab1e7e6/2-Figure1-1.png "PDF] Combined hybrid functional and DFT+U calculations for metal chalcogenides. | Semantic Scholar")
PDF] Combined hybrid functional and DFT+U calculations for metal chalcogenides. | Semantic Scholar
Overview – Self-consistent Hubbard-U corrections for transition metal oxides
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches - ScienceDirect
