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Re: Spin-Orbit coupling at XMCQDPT2 level?

Alex Granovsky
gran@classic.chem.msu.su


Dear Evgeniy,

this is impossible at present.

Kind regards,
Alex Granovsky

On Wed May 31 '17 1:34pm, GrEv wrote
------------------------------------
>Hello,

>I wonder if it is possible to calculate spin-orbit coupling at XMCQDPT2 level?

>Regards,
>Evgeniy


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