[molpro-user] NEVPT2 with more than 14 orbitals in the active space
Quan Phung
manhquank9 at gmail.com
Fri Nov 14 09:56:58 GMT 2014
Dear Molpro users,
Is it possible to do NEVPT2 with more than 14 orbitals in the active space?
I can modify the source code to overcome this limit but I'm not sure if I
have meaningful numbers.
Best regards,
Quan
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