ADF: Vibrationally resolved electronic spectra

To calculate vibrational effects on the electronic excitations (Uv/vis, X-ray), one needs to do a frequency calculation both at the ground state as well as the excited state of interest. Next Franck-Condon factors need to be calculated for the transition between the two electronic states, which can be done with the FCF program. These Franck-Condon factor can then be used to predict the relative intensities of absorption or emission lines in the electronic spectra. Note that the Herzberg-Teller effect is not taken into account.

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