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TDMs for spin-mixed states

Maksim Shundalau
m.shundalau@gmail.com


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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