Overview – Self-consistent Hubbard-U corrections for transition metal oxides
Systematic beyond-DFT study of binary transition metal oxides | npj Computational Materials
The DOS and band structures obtained from GGA or GGA + U scheme for... | Download Scientific Diagram
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
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO+: The Journal of Chemical Physics: Vol 129, No 13
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
Formation enthalpies by mixing GGA and GGA + U calculations
Band structure of A-TiO2 by GGA + U calculations with various U values:... | Download Scientific Diagram
Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
Molecules | Free Full-Text | GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase
GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides | SpringerLink
![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
GGA+U Band Structures of 1T-TaS2 and Graphene on 1T-TaS2 a) GGA+U band... | Download Scientific Diagram
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)
Detailed check of the LDA + U and GGA + U corrected method for defect calculations in wurtzite ZnO - ScienceDirect
Stream G.G.A U Lie (Explicit) by GGA | Listen online for free on SoundCloud
A density functional calculations on electronic, magnetic, optical, mechanical and half-metallic properties in molybdenum based pnictogens in GGA and GGA+U approach - ScienceDirect
Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3 | Scientific Reports
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
Materials | Free Full-Text | Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U
Electronic and magnetic properties of Fe-doped GaN: first-principle calculations
Exercises with DFT+U
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
