Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12129-12137

  Staroverov, Viktor N ^a   Scuseria, Gustavo E ^a   Tao, Jianmin ^b   Perdew, John P ^b  

^a RICE UNIVERSITY   (United States)

^b TULANE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRON TRANSITIONS; ELECTRONS; GROUND STATE; HYDROGEN BONDS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROTONS;

DENSITY FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; HYDROGEN-BONDED COMPLEXES; LOCAL SPIN-DENSITY APPROXIMATION; MEAN ABSOLUTE ERROR; META-GENERALIZED GRADIENT APPROXIMATION; NONEMPIRICAL DENSITY FUNCTIONAL;

STATISTICAL MECHANICS;

EID: 0347319419     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1626543     Document Type: Article

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