[molpro-user] How is Pople correction calculated.

Dawid das addiw7 at googlemail.com
Wed Mar 30 16:44:32 CEST 2016

Dear Molpro Experts,

I have calculated MR-CISD excitation energies with Molpro 2012.1 and
Columbus 7 and  I see
some major discrepancies in case of MR-CISD EEs including Pople correction.

Could you explain shortly how this correction is calculated in Molpro? In
Columbus I can
see and information that

 pople ci energy extrapolation is computed with 32 correlated electrons.

even though I have used only 6 electrons in my active space. Is it possible
that in Molpro
a different number of correlated electrons is used?

Best regards,
Dawid Grabarek
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