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ADF: Franck-Condon Factors

The fcf module is an auxiliary program which can be used to calculate Franck-Condon factors from two vibrational mode calculations. Franck-Condon factors are the squares of the overlap integrals of vibrational wave functions. Given a transition between two electronic, spin or charge states, the Franck-Condon factors represent the probabilities for accompanying vibrational transitions. As such, they can be used to predict the relative intensities of absorption or emission lines in spectroscopy or excitation lines in transport measurements.