DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review - ScienceDirect
Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization | npj Computational Materials
24 Correction of Exchange-Correlation Error (1): DFT+U - Materials Square
Fast kinetics of monoclinic VO2(B) bulk upon magnesiation via DFT+U calculations - Physical Chemistry Chemical Physics (RSC Publishing)
DFT+U calculation • Quantum Espresso Tutorial
DOS calculated using DFT (U 0) for all six configurations for BaTi... | Download Scientific Diagram
Introduction to DFT+U
24 Correction of Exchange-Correlation Error (1): DFT+U - Materials Square
![PDF] The DFT+U: Approaches, Accuracy, and Applications | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/964919b1944762ae92bb2e6cd5e111783f4b3ccb/8-Figure1-1.png "PDF] The DFT+U: Approaches, Accuracy, and Applications | Semantic Scholar")
PDF] The DFT+U: Approaches, Accuracy, and Applications | Semantic Scholar
Determining the optimal U correction – Self-consistent Hubbard-U corrections for transition metal oxides
Hubbard‐corrected DFT energy functionals: The LDA+U description of correlated systems - Himmetoglu - 2014 - International Journal of Quantum Chemistry - Wiley Online Library
DFT+U calculation • Quantum Espresso Tutorial
![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
Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization | npj Computational Materials
DFT+U and beyond, by Prof. H. J. Kulik (MIT) - YouTube
Basics of DFT+U
Including Hubbard U variations with DFT+U(R) | Kulik Research Group
The DFT+U: Approaches, Accuracy, and Applications | IntechOpen
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
Troubleshooting common problems with DFT+U | Kulik Research Group
Project: 12.2 (DFT+U) NiO with U | Quantum Espresso Tutorial 2019 - YouTube
A DFT+U study of defect association and oxygen migration in samarium-doped ceria - Physical Chemistry Chemical Physics (RSC Publishing)
Basics of DFT+U
Band structures from DFT, DFT+U and the effective TB models. (a)... | Download Scientific Diagram
