[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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