A density functional study of the electronic structure of sodalite

Journal of Chemical Physics

Volumn 108, Issue 20, 1998, Pages 8584-8588

  Thomson, Kendall T ^a   Wentzcovitch, Renata M ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AL-SUBSTITUTION; EQUILIBRIUM POSITIONS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FRONTIER ORBITALS; VALENCE BAND EDGES;

ALUMINUM; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; POSITIVE IONS;

DENSITY FUNCTIONAL THEORY;

EID: 0000240722     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476287     Document Type: Article

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