Electronic structure and chemical bonding properties of UO2F2 from first principles

Solid State Sciences

Volumn 11, Issue 8, 2009, Pages 1380-1385

  Matar, Samir F ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

ASW; DFT; ELF; Insulators; LDA; Uranium oxyfluoride; VASP

Indexed keywords

CALCULATIONS; CHEMICAL ANALYSIS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRIC INSULATORS; ELECTRONIC STRUCTURE; ENERGY GAP; EQUATIONS OF STATE; URANIUM DIOXIDE;

ANISOTROPIC COMPRESSION; COMPUTATION METHODS; COVALENT INTERACTIONS; EQUILIBRIUM PROPERTIES; HIGHEST OCCUPIED VALENCE BANDS; OXYFLUORIDES; PROJECTOR AUGMENTED WAVES; VASP;

CHEMICAL BONDS;

EID: 67650741729     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2009.04.010     Document Type: Article

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