Self-consistent on-site and inter-site Hubbard parameters within DFT+U+V for UO${}_2$ using density-functional perturbation theory

Mahmoud Payami, Samira Sheykhi, Mohammad-Reza Basaadat

To apply the Hubbard-corrected density-functional theory for predicting some known materials' properties, the Hubbard parameters are usually so tuned that the calculations give res…