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Re: TDMs for spin-mixed states

Alex Granovsky
gran@classic.chem.msu.su


Dear Maksim,

I'm sorry for delayed reply.

This is impossible in moment but is in our todo list.

All the best,
Alex


On Thu Nov 24 '16 1:19pm, Maksim Shundalau wrote
------------------------------------------------
>Dear Alex,

>I have calculated the transition dipole moments (TDMs) at the CASSCF level of theory without spin-orbit coupling (SOC). Can I calculate the TDMs for spin-mixed states at the CASSCF/XMCQDPT2 + SOC level of theory?

>Kind regards,
>Maksim Shundalau.


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