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Can we find LUMO to HOMO transitions using Firefly-8.0.1?
I read a paper which used Firefly and discussed about TDDFT calculations. There was a mention of LUMO to HOMO transitions in the same work. It said "by combining both the experimental data and the calculation
results with the Franck-Condon principle, the simplified mechanism for downward vertical transition can be predicted as" ...... And it was termed as Emission band.
Sir, is it possible to study emission spectra using Firefly? If yes how can we go about it?
Wed Mar 26 '14 10:42am
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