Compact variational wave functions incorporating limited triple and quadruple substitutions

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6069-6075

  Sherrill, C David ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MATHEMATICAL TECHNIQUES; PHYSICAL CHEMISTRY;

CONFIGURATION INTERACTIONS; VARIATIONAL APPROACH; WAVE FUNCTIONS;

ELECTRONIC STRUCTURE;

EID: 0030121841     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9527719     Document Type: Article

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29. The basis set actually used is that of ref 10, which differs from the published basis of Bauschlicher and Taylor (ref 28) as follows: a typographical error in ref 28 lists an oxygen s exponent as 0.073 711 rather than 0.073 771, and ref 10 mistakenly uses a hydrogen s exponent of 19.2394 instead of 19.2384.