PC GAMESS/Firefly-related discussion club

Re^4: Geometry optimization for lowest-excited- singlet sates by DFT

Fumihito Mohri
qzg00677@nifty.com

Dear Prof. Granovsky
Thank you for your helpful advice.

>Another approach you can try for excited states
>geometry optimization with PC GAMESS/Firefly is MCSCF.
>State-specific gradients are available for both single-state
>and state-averaged MCSCF, and both for GUGA and ALDET CI code.
>And MCSCF is blazingly fast with PC GAMESS/Firefly!

Regards,
Mohri, Fumihito

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