@article{7930dc281a324aee8f571afb4b8608e5,
title = "Comment on {"}Taming multiple valency with density functionals: A case study of defective ceria{"}",
abstract = "We show that two all-electron methods, the full-potential linearized augmented wave method and the projector augmented wave method, yield a metallic groundstate for Ce2O3, as opposed to the experimentally observed insulating groundstate. This is in contrast to previous pseudopotential calculations [Phys. Rev. B 71, 041102(R) (2005)], which suffered from an erroneous overestimation of the spin-enhancement factor and a resulting overestimation of the exchange splitting. {\OE} 2005 The American Physical Society.",
author = "Georg Kresse and Peter Blaha and {Da Silva}, {Juarez L. F.} and Ganduglia-Pirovano, {M. Ver{\'o}nica}",
note = " DOI: 10.1103/PhysRevB.72.237101 Coden: PRBMD Affiliations: Institut f{\"u}r Materialphysik, Universit{\"a}t Wien, Sensengasse 8/12, A-1090 Wien, Austria; Institut f{\"u}r Materialchemie, Technische Universit{\"a}t Wien, Getreidemarkt 9, A-1060 Wien, Austria; Humboldt-Universit{\"a}t Zu Berlin, Institut f{\"u}r Chemie, Unter den Linden 6, D-10099 Berlin, Germany Adressen: Kresse, G.; Institut f{\"u}r Materialphysik; Universit{\"a}t Wien; Sensengasse 8/12 A-1090 Wien, Austria Import aus Scopus: 2-s2.0-29744439677 22.10.2007: Datenanforderung 1935 (Import Sachbearbeiter) 22.10.2007: Datenanforderung 1936 (Import Sachbearbeiter)",
year = "2005",
doi = "10.1103/PhysRevB.72.237101",
language = "English",
volume = "72",
journal = "Physical Review B",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "23",
}