Advances in first-principles modelling of point defects in UO2: F electron correlations and the issue of local energy minima

Journal of Physics Condensed Matter

Volumn 25, Issue 33, 2013, Pages

  Dorado, B ^a   Freyss, M ^b   Amadon, B ^a   Bertolus, M ^b   Jomard, G ^b   Garcia, P ^b  

^a DIF   (France)

^b IRFM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATED ELECTRONS; DFT + U; HYBRID FUNCTIONALS; LOCAL ENERGY MINIMA; META-STABLE STATE; SELF-DIFFUSION;

ACTIVATION ENERGY; CALCULATIONS;

POINT DEFECTS;

EID: 84881180765     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/33/333201     Document Type: Article

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