Orbital-free density functional theory applied to NaAlH 4

Journal of Physical Chemistry B

Volumn 109, Issue 34, 2005, Pages 16554-16562

  Frankcombe, Terry J ^a   Kroes, Geert Jan ^a   Choly, Nicholas I ^b   Kaxiras, Efthimios ^b  

^a LEIDEN UNIVERSITY   (Netherlands)

^b HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN STORAGE MATERIALS; NAH STRUCTURES; ORBITAL-FREE DENSITY FUNCTIONAL THEORY (OF-DFT);

ALUMINUM; HYDROGEN; KINETIC ENERGY; MOLECULAR STRUCTURE; PHYSICAL CHEMISTRY; SODIUM COMPOUNDS;

PROBABILITY DENSITY FUNCTION;

EID: 24744468674     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050191y     Document Type: Article

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