[molpro-user] How to generate modified virtual orbitals (MVOs)
zzhao at olemiss.edu
Wed Jun 25 23:07:11 BST 2008
Hi Molpro users,
I just began learning molpro. I always have some newbie problems.
Currently I want generating modified virtual orbitals (MVOs), which
will give more valence-like LUMOs, and it is easier for me to select MOs
for CAS calculations. Is it possible in MOLPRO? If possible, could you
attach an example input file?
Thanks in advance,
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