Kavli Affiliate: Kristin A. Persson | First 5 Authors: Guy C. Moore, Matthew K. Horton, Alexander M. Ganose, Martin Siron, Kristin A. Persson | Summary: Hubbard U and Hund J values provide a measure of the self-interaction between correlated electrons, and are crucial parameters in the formalism of density functional theory with a "plus U" […]
Continue.. High-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalism