[molpro-user] CASPT2 without semi-internal excitations

Alexander Sokolov asokolov at uga.edu
Sat Sep 13 02:04:05 BST 2014

Dear Molpro Users/Developers,

I would like to compute CASPT2 energy without the contribution from
semi-internal excitations. As far as I understand, these excitations are
included in Molpro by default. Is there a way to remove their contribution
from CASPT2?

Thank you,

Alexander Sokolov
Postdoctoral Research Associate
Princeton University
Princeton, NJ
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