density functional theory - VASP DFT+U on Ti d orbital, why d orbitals are not affected but s and p orbitals are pushed lower? - Matter Modeling Stack Exchange
Where Does the Density Localize? Convergent Behavior for Global Hybrids, Range Separation, and DFT+U | Journal of Chemical Theory and Computation
Basics of DFT+U
On the Use of DFT+U to Describe the Electronic Structure of TiO2 Nanoparticles: (TiO2)35 as a Case Study | Materials Science | ChemRxiv | Cambridge Open Engage
A DFT+U study of defect association and oxygen migration in samarium-doped ceria - Physical Chemistry Chemical Physics (RSC Publishing)
DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review - ScienceDirect
WT17: How to do SCF calculation using DFT+U method with WIEN2k | Hubbard model - YouTube
Basics of DFT+U
A review on DFT + U scheme for structural, electronic, optical and magnetic properties of copper doped ZnO wurtzite structure - ScienceDirect
Revisiting the Neutral C-Vacancy in Diamond: Localization of Electrons through DFT+U – The Delocalized Physicist
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization | npj Computational Materials
Introduction to DFT+U
![PDF] Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/980534461185acc6d598b5efd9ad00b71c59486e/7-Figure1-1.png "PDF] Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps | Semantic Scholar")
PDF] Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps | Semantic Scholar
Determining the optimal U correction – Self-consistent Hubbard-U corrections for transition metal oxides
24 Correction of Exchange-Correlation Error (1): DFT+U - Materials Square
Density Functional Theory and DFT+U Study of Transition Metal Porphines Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields | Journal of the American Chemical Society
DOS calculated using DFT (U 0) for all six configurations for BaTi... | Download Scientific Diagram
Troubleshooting common problems with DFT+U | Kulik Research Group
Fast kinetics of monoclinic VO2(B) bulk upon magnesiation via DFT+U calculations - Physical Chemistry Chemical Physics (RSC Publishing)
DFT+U and beyond, by Prof. H. J. Kulik (MIT) - YouTube
Applied Sciences | Free Full-Text | Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps
Self-consistent ${\rm DFT}+U+V$ study of oxygen vacancies in ${\rm SrTiO}_3$
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization | npj Computational Materials
Combined hybrid functional and DFT+U calculations for metal chalcogenides: The Journal of Chemical Physics: Vol 141, No 4
