DFT+Ucalculations of the ground state and metastable states of uranium dioxide

GGA+U study of the incorporation of iodine in uranium dioxide

(2009) B. Dorado et al.   EUROPEAN PHYSICAL JOURNAL B

Anisotropy and magnetism in theLSDA+Umethod

(2009) Erik R. Ylvisaker et al.   PHYSICAL REVIEW B

Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theory

(2008) Lindsay E. Roy et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Energetics of intrinsic point defects in uranium dioxide from electronic-structure calculations

(2008) Pankaj Nerikar et al.   JOURNAL OF NUCLEAR MATERIALS

Structural, thermodynamic, and electronic properties of plutonium oxides from first principles

(2008) Gérald Jomard et al.   PHYSICAL REVIEW B

Point defects and clustering in uranium dioxide byLSDA+Ucalculations

(2008) Hua Y. Geng et al.   PHYSICAL REVIEW B

γandβcerium:LDA+Ucalculations of ground-state parameters

(2008) B. Amadon et al.   PHYSICAL REVIEW B

Study of Ba and Zr stability inUO2±xby density functional calculations

(2008) G. Brillant et al.   PHYSICAL REVIEW B

Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure

(2007) Marc Torrent et al.   COMPUTATIONAL MATERIALS SCIENCE