Communication: Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons

Role of Lattice Distortions in the Oxygen Storage Capacity of Divalently Doped CeO2

(2011) Aoife B. Kehoe et al.   CHEMISTRY OF MATERIALS

Erratum: First-principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U parameter [Phys. Rev. B75, 035115 (2007)]

(2011) Christoph Loschen et al.   PHYSICAL REVIEW B

Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO2and Ce2O3

(2010) Jesús Graciani et al.   Journal of Chemical Theory and Computation

Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO2 (111) Surface

(2010) María Marta Branda et al.   Journal of Physical Chemistry C

Extended DFT +U+Vmethod with on-site and inter-site electronic interactions

(2010) Vivaldo Leiria Campo Jr et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic correlation effects in reduced rutileTiO2within theLDA+Umethod

(2010) Seong-Geon Park et al.   PHYSICAL REVIEW B

On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO[sub 2](111)

(2009) María Marta Branda et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation

(2009) Norge C. Hernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study for low-spinLaCoO3with a structurally consistent HubbardU

(2009) Han Hsu et al.   PHYSICAL REVIEW B