% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Warda:1050588,
      author       = {Warda, Kinga and Macke, Eric and Timrov, Iurii and Colombi
                      Ciacchi, Lucio and Kowalski, Piotr M.},
      title        = {{G}etting the {M}anifold {R}ight: {T}he {C}rucial {R}ole of
                      {O}rbital {R}esolution in {DFT}+ {U} for {M}ixed d–f
                      {E}lectron {C}ompounds},
      journal      = {Journal of chemical theory and computation},
      volume       = {22},
      number       = {2},
      issn         = {1549-9618},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {FZJ-2026-00340},
      pages        = {1016-1029},
      year         = {2026},
      cin          = {IET-3},
      ddc          = {610},
      cid          = {I:(DE-Juel1)IET-3-20190226},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/acs.jctc.5c01406},
      url          = {https://juser.fz-juelich.de/record/1050588},
}