Experimental and theoretical bond critical point properties for model electron density distributions for earth materials

Physics and Chemistry of Minerals

Volumn 32, Issue 2, 2005, Pages 114-125

  Gibbs, G V ^a   Cox, D F ^b   Rosso, K M ^c   Kirfel, A ^d   Lippmann, T ^e   Blaha, P ^f   Schwarz, K ^f  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b State University   (United States)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF BONN   (Germany)

^e INSTITUTE OF MATERIALS RESEARCH   (Germany)

^f VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

AlPO4 15; Bromellite; Cuprite; Danburite; Fibrouszeolites; Forsterite; Senarmonite; Silica polymorphs; Synchrotron diffraction data

Indexed keywords

COMPUTATIONAL METHODS; MATHEMATICAL MODELS; QUANTUM THEORY; SINGLE CRYSTALS; SYNCHROTRONS; X RAY DIFFRACTION; X RAY SCATTERING;

BOND CRITICAL POINT; CRYSTAL CHEMISTRY; ELECTRON DENSITY DISTRIBUTIONS; SINGLE CRYSTAL DIFFRACTION DATA;

CARRIER CONCENTRATION;

CRYSTAL PROPERTY; ELECTRON DENSITY; X-RAY DIFFRACTION;

EID: 21244471896     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00269-005-0456-9     Document Type: Article

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