Overview – Self-consistent Hubbard-U corrections for transition metal oxides
Color online) Band structures near EF : (a)-(c) within GGA+U , and... | Download Scientific Diagram
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
Spin-polarized GGA+U (Ueff = 6 eV for Cu 3d) calculated band structure... | Download Scientific Diagram
Limitation and extrapolation correction of the GGA + U formalism: a case study of Nb-doped anatase TiO2 - Journal of Materials Chemistry C (RSC Publishing)
GGA/GGA+U Calculations - Materials Project Documentation
GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides | SpringerLink
Comparison of the experimental band structure and GGA+U calculation.... | Download Scientific Diagram
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches - ScienceDirect
GGA+U Band Structures of 1T-TaS2 and Graphene on 1T-TaS2 a) GGA+U band... | Download Scientific Diagram
Systematic beyond-DFT study of binary transition metal oxides | npj Computational Materials
Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3 | Scientific Reports
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
Molecules | Free Full-Text | GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase
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 | Journal of Chemical Theory and Computation
The DOS and band structures obtained from GGA or GGA + U scheme for... | Download Scientific Diagram
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
Stream G.G.A U Lie (Explicit) by GGA | Listen online for free on SoundCloud
GGA + U-computed partial DOS for the AF + + − − state with U = 3.8 eV.... | Download Scientific Diagram
Materials | Free Full-Text | Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U
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
Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$
Electronic and magnetic properties of Fe-doped GaN: first-principle calculations
