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Re^3: XMCQDPT2 ground- and excited-state dipole moments

Alex Granovsky
gran@classic.chem.msu.su


Dear Dawid,

yes these values are the approximations to "real" XMC-QDPT2

All the best,
Alex Granovsky


On Tue Jun 13 '17 9:10pm, Dawid wrote
-------------------------------------
>>Dear Professor Granovsky,

>Yes, I have just noticed it. I am sorry for bothering.
>However to make sure, those values I get under entries

> ZERO-ORDER PROPERTIES FOR STATE #   ?

>are for XMC-QDPT2 right? I know that these are actually only
>approximations to "real" XMC-QDPT2 values. I read the manual.

>Best wishes,
>Dawid


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