Exercises with DFT+U
The calculated GGA and GGA + U total and partial density of states of... | Download Scientific Diagram
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches - ScienceDirect
Molecules | Free Full-Text | GGA and GGA + U Study of ThMn2Si2 and ThMn2Ge2 Compounds in a Body-Centered Tetragonal Ferromagnetic Phase
Self-consistent GGA+U - List of Frontiers' open access articles
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)
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
GGA/GGA+U Calculations - Materials Project Documentation
GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides | 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
GGA+U Band Structures of 1T-TaS2 and Graphene on 1T-TaS2 a) GGA+U band... | Download Scientific Diagram
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
LDA+U/GGA+U calculations of structural and electronic properties of CdTe: Dependence on the effective U parameter - ScienceDirect
Materials | Free Full-Text | Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U
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
Figure 2 | Effect of Fe Concentration on Fe-Doped Anatase TiO2 from GGA + U Calculations
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
Color online) Band structures near EF : (a)-(c) within GGA+U , and... | Download Scientific Diagram
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$
Detailed check of the LDA + U and GGA + U corrected method for defect calculations in wurtzite ZnO - ScienceDirect
Spin-polarized GGA+U (Ueff = 6 eV for Cu 3d) calculated band structure... | Download Scientific Diagram
Formation enthalpies by mixing GGA and GGA + U calculations
