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Efficiency of calculations for different basis sets

GrEv
grevgen13@gmail.com


Hello,

I wonder if the use of Pople's basis sets would lead to some speedup in calculations in comparison with generally contracted basis sets (Dunning's etc) due to a possibly somewhat faster AO integral part for Pople's basis sets, let alone the smaller number of Gaussians?

Best regards,
Evgeniy


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