GGA/GGA+U Calculations - Materials Project Documentation
The DOS and band structures obtained from GGA or GGA + U scheme for... | 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
GGA+U Band Structures of 1T-TaS2 and Graphene on 1T-TaS2 a) GGA+U band... | Download Scientific Diagram
arXiv:1607.03945v2 [cond-mat.str-el] 11 Jan 2017
Correlation Effects on Lattice Relaxation and Electronic Structure of ZnO within the GGA+U Formalism | The Journal of Physical Chemistry C
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches - ScienceDirect
Limitation and extrapolation correction of the GGA + U formalism: a case study of Nb-doped anatase TiO2 - Journal of Materials Chemistry C (RSC Publishing)
Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3 | Scientific Reports
Detailed check of the LDA + U and GGA + U corrected method for defect calculations in wurtzite ZnO - ScienceDirect
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
GGA + U-computed partial DOS for the AF + + − − state with U = 3.8 eV.... | Download Scientific Diagram
Electronic structure of bulk and two-dimensional SrTiO3: DFT calculation with GGA + U methods | SpringerLink
Comparison of the experimental band structure and GGA+U calculation.... | Download Scientific Diagram
GGA+U method from first principles: application to reduction–oxidation properties in ceria-based oxides | SpringerLink
The calculated GGA and GGA + U total and partial density of states of... | Download Scientific Diagram
Self-consistent GGA+U - List of Frontiers' open access articles
Band structure of A-TiO2 by GGA + U calculations with various U values:... | 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
Materials | Free Full-Text | Determination of Formation Energies and Phase Diagrams of Transition Metal Oxides with DFT+U
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)
Systematic beyond-DFT study of binary transition metal oxides | npj Computational Materials
Figure 2 | Effect of Fe Concentration on Fe-Doped Anatase TiO2 from GGA + U Calculations
![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
LDA+U/GGA+U calculations of structural and electronic properties of CdTe: Dependence on the effective U parameter - ScienceDirect
