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Re: MCSCF transition moment

Alex Granovsky
gran@classic.chem.msu.su


Hi again,

On Fri Nov 21 '14 7:33am, kaushik hatua wrote
---------------------------------------------
>Hi all
>Can anybody suggest how to obtained transition moment between different excited states in MCSCF calculations? Also finite field calculations with this MCSCF wave function?
>Thanks in advance

as to second part of your question, you need to use runtyp=ffield and
force extra high precision calculations. You also need to set istate
in $mcscf group to the number of the desired state.

Kind regards,
Alex Granovsky


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