Posted by Pawel Wielgus on March 28, 2006 at 15:34:50:
Dear MOLCAS Users,
can we get natural orbitals from CCSD(T) from Molcas?
Regards,
Pawel Wielgus
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if B is 1s22s22p1, what is Li?
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Comments: : Dear MOLCAS Users, : can we get natural orbitals from CCSD(T) from Molcas? : Regards, : Pawel Wielgus