Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO2 and Ce2O3

NO reduction by CO over CuO supported on CeO2-doped TiO2: the effect of the amount of a few CeO2

(2015) Changshun Deng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of grain size and microstructure on radiation stability of CeO2: an extensive study

(2014) V. Grover et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Formation of luminescent centers in CeO2 nanocrystals

(2013) A. Masalov et al.   JOURNAL OF LUMINESCENCE

Elastic and electronic properties of Ce2O3 from first principles

(2012) Zhen-Wei Niu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

B3LYP calculations of cerium oxides

(2010) Jolla Kullgren et al.   JOURNAL OF CHEMICAL PHYSICS

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

Method for locating low-energy solutions withinDFT+U

(2010) B. Meredig et al.   PHYSICAL REVIEW B

Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation

(2009) Marco Fronzi et al.   JOURNAL OF CHEMICAL PHYSICS

The photoluminescence properties and reversible photoinduced spectral change of CeO2bulk, film and nanocrystals

(2009) Shosuke Mochizuki et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Mechanical and electronic properties ofCeO2,ThO2, and(Ce,Th)O2alloys

(2009) C. Sevik et al.   PHYSICAL REVIEW B

Implementing and testing the AM05 spin density functional

(2009) Ann E. Mattsson et al.   PHYSICAL REVIEW B

Combining the hybrid functional method with dynamical mean-field theory

(2008) D. Jacob et al.   EPL

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS