[molpro-user] explicitly corr. methods and core electron correlation?
Berger Raphael
berger at chem.helsinki.fi
Tue Sep 29 13:29:58 BST 2009
Dear Readers,
has any one got experience with core electron correlation in combination
with F12. Especially it would be interesting to know how the
intermolecular BSSE would be affected by approaching the basis set limit
using F12. For instance in case of a method like
CCSD(T)-F12b/aug-cc-pVQZ + core electron correlation
Thank You for reading
R. Berger
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