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Re: Can't figure out how to find emission spectra of Benzene...

Alex Granovsky
gran@classic.chem.msu.su


Hello,

for emission spectra you need to optimize S1 geometry and then compute
vertical transition from S0 to S1 at optimized geometry of S1.

Kind regards,
Alex Granovsky


On Sat Jun 7 '14 9:10pm, Siddheshwar Chopra wrote
-------------------------------------------------
>Dear Firefly users,
>I need some real help in determining the emission spectra (S1--->SO*) of benzene.
>I have understood till optimizing the ground state and then obtaining the vertical transition from SO--->S1*...
>Please help me now what I should do next? Any i/p files would be welcomed.

>Kind Regards,


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