Electron localization function in full-potential representation for crystalline materials

Journal of Physical Chemistry A

Volumn 110, Issue 3, 2006, Pages 1100-1105

  Ormeci, A ^a   Rosner, H ^a   Wagner, F R ^a   Kohout, M ^a   Grin, Yu ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRON TRANSITIONS; ELECTRONS; METALS;

DIRECTED BONDING; ELECTRON LOCALIZATION FUNCTION (ELF); ELEMENTAL METALS; FULL-POTENTIAL LOCAL ORBITAL METHOD;

CRYSTALLINE MATERIALS;

EID: 33644545398     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054727r     Document Type: Article

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