Application of numerical basis sets to hydrogen bonded systems: A density functional theory study

Journal of Chemical Physics

Volumn 122, Issue 14, 2005, Pages

  Benedek, N A ^a   Snook, I K ^a   Latham, K ^a   Yarovsky, I ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); GEOMETRIC PARAMETERS; HYDROGEN BONDED SYSTEMS; NUMERICAL BASIS SETS;

APPROXIMATION THEORY; BINDING ENERGY; COMPUTATIONAL GEOMETRY; CORRELATION METHODS; DIMERS; ELECTRONIC STRUCTURE; KINETIC ENERGY; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

HYDROGEN BONDS;

EID: 20844437792     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1876152     Document Type: Article

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