H J Kulik, Perspective: Treating electron over-delocalization with the DFT+U method, JCP 142, 240901 (2015)
L Ponet, E Di Lucente, N Marzari, The energy landscape of magnetic materials, npj Comput Mater 10, 151 (2024) – doi
I Timrov, F Aquilante, M Cococcioni, N Marzari, Accurate Electronic Properties and Intercalation Voltages of Olivine-Type Li-Ion Cathode Materials from Extended Hubbard Functionals, PRX Energy 1, 033003 (2022)
M Shishkin, H Sato, Self-consistent parametrization of DFT + U framework using linear response approach: Application to evaluation of redox potentials of battery cathodes, PRB 93, 085135 (2016)
B Meredig, A Thompson, H A Hansen, C Wolverton, A van de Walle, Method for locating low-energy solutions within DFT+U, PRB 82, 195128 (2010)
S L Dudarev, G A Botton, S Y Savrasov, C J Humphreys, A P Sutton, Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study, PRB 57, 1505 (1998)