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First-principles study of defects and phase transition in UO2
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Ab initio DFT plus U study of He atom incorporation into UO2 crystals
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Cooperativity among defect sites in AO2+x and A4O9 (A=U,Np,Pu): Density functional calculations
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DFT plus U calculations of the ground state and metastable states of uranium dioxide
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Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides
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Multipolar interactions in f-electron systems: The paradigm of actinide dioxides
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Structural, thermodynamic, and electronic properties of plutonium oxides from first principles
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Point defects and clustering in uranium dioxide by LSDA+U calculations
Hua Y. Geng et al.
PHYSICAL REVIEW B (2008)
γ and β cerium:: LDA+U calculations of ground-state parameters
B. Amadon et al.
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Basic mechanisms of Frenkel pair recombinations in UO2 fluorite structure calculated by molecular dynamics simulations
L. Van Brutzel et al.
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Study of Ba and Zr stability in UO2±x by density functional calculations
G. Brillant et al.
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PBE+U calculations of the Jahn-Teller effect in PrO2
Fabien Tran et al.
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Stability mechanism of cuboctahedral clusters in UO2+x:: First-principles calculations
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Kinetics of precipitation of U4O9 from hyperstoichiometric UO2+x
J. D. Higgs et al.
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Correlation effects and energetics of point defects in uranium dioxide: a first principle investigation
F. Gupta et al.
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Electronic structure of rare-earth nitrides using the LSDA plus U approach: Importance of allowing 4f orbitals to break the cubic crystal symmetry
P. Larson et al.
PHYSICAL REVIEW B (2007)
First-principles calculation of point defects in uranium dioxide
Misako Iwasawa et al.
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Electronic structure calculations with dynamical mean-field theory
G. Kotliar et al.
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Direct observation of electric-quadrupolar order in UO2
SB Wilkins et al.
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Assessment of metageneralized gradient approximation and screened Coulomb hybrid density functionals on bulk actinide oxides
ID Prodan et al.
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Spherical neutron spin polarimetry of anisotropic magnetic fluctuations in UO2 -: art. no. 184411
E Blackburn et al.
PHYSICAL REVIEW B (2005)
Dynamical jahn-teller effect on UO2 -: art. no. 064419
D Ippolito et al.
PHYSICAL REVIEW B (2005)
Magnetic structure and electric-field gradients of uranium dioxide:: An ab initio study -: art. no. 140408
R Laskowski et al.
PHYSICAL REVIEW B (2004)
First-principles calculations of PuO2±x
L Petit et al.
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Ground and metastable states in γ-Ce from correlated band theory
AB Shick et al.
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Understanding STM images and EELS spectra of oxides with strongly correlated electrons: a comparison of nickel and uranium oxides
SL Dudarev et al.
MICRON (2000)