Comparing Hubbard parameters from linear-response theory and a Hartree-Fock-based approach

Wooil Yang, Iurii Timrov, Francesco Aquilante +1

Density-functional theory with on-site $U$ and inter-site $V$ Hubbard corrections (DFT+$U$+$V$) is widely used to predict properties of transition-metal and rare-earth compounds, b…