TY  - JOUR
AU  - Warda, Kinga
AU  - Macke, Eric
AU  - Timrov, Iurii
AU  - Colombi Ciacchi, Lucio
AU  - Kowalski, Piotr M.
TI  - Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds
JO  - Journal of chemical theory and computation
VL  - 22
IS  - 2
SN  - 1549-9618
CY  - Washington, DC
PB  - ACS
M1  - FZJ-2026-00340
SP  - 1016-1029
PY  - 2026
LB  - PUB:(DE-HGF)16
DO  - DOI:10.1021/acs.jctc.5c01406
UR  - https://juser.fz-juelich.de/record/1050588
ER  -