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Re^2: TDMs for spin-mixed states

Maksim Shundalau
m.shundalau@gmail.com

Thank you, Alex.

Kind regards,
Maksim Shundalau.


On Mon Nov 28 '16 6:46pm, Alex Granovsky wrote
----------------------------------------------
>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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