Symbolic mathematics software makes it possible for undergraduates to model the expansion of a wave function using the Hermite polynomials of a simple harmonic oscillator. The probabilities for transitions between the vibrational states of two electronic states with different equilibrium displacements are directly determined by the Franck-Condon factors, which are simply the coefficients of the expansion of one state in terms of the other stateÕs basis functions. Exercises are described that allow students to explore and understand the Franck-Condon factors and to apply their understanding to interpreting simple spectra including the octatetraene and iodine absorption spectra. These exercises are used to promote active learning in physical chemistry courses.
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Citation
Wright, John C.; Zielinski, Theresa Julia. J. Chem. Educ.1999 76 1367.
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