Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction

Journal of Chemical Physics

Volumn 96, Issue 3, 1992, Pages 2155-2160

  Becke, Axel D ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

ATOMIZATION; CORRECTIONS; DENSITY FUNCTIONAL METHOD; DIATOMIC MOLECULES; ERRORS; EXCHANGE INTERACTIONS; GAUSS FUNCTION; MOLECULES; N CODES; NUMERICAL SOLUTION; POLYATOMIC MOLECULES; THERMOCHEMICAL PROCESSES

Indexed keywords

EID: 77956779984     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.462066     Document Type: Article

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