Examination and Development of the Correlation Consistent Composite Approach
Description:
The primary focus of this dissertation is the advancement of the correlation consistent composite approach (ccCA) methodology from its original formulation to the current implementation. Although for large main group test sets which contained both first- (Li-Ne) and second-row (Na-Ar) species ccCA produced chemical accuracy (generally estimated as a deviation of ~1 kcal mol-1 from reliable experiment), the second-row species were smaller in molecular size in comparison to their corresponding f…
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Date:
December 2010
Creator:
Williams, T. Gavin
Partner:
UNT Libraries