[molpro-user] deleting/freezing virtuals in CISD or CCSD?
Gershom (Jan M.L.) Martin
gershom at weizmann.ac.il
Thu Apr 7 13:09:45 BST 2011
This is perhaps an oddball question, but is there a simple/straightforward
way in Molpro to do a CISD or CCSD calculation in a subset of the virtual
orbitals (e.g., with one or more virtuals at the top deleted)?
Many thanks in advance
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