[molpro-user] complete basis set limit for different atoms

ERSIN YURTSEVER eyurtsev at ku.edu.tr
Thu Sep 2 12:12:56 BST 2010

I am trying to do some complete basis set calculations for MgHe type molecules where d-aug-ccpvXZ type basis set goes to X=6 for He but x=5 for Mg. 

Is it possible to use different sequences to extrapolation for different atoms?


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