Franck-Condon factors (FCFs) play a crucial role in determining the intensities of the vibrational bands in electronic transitions. In this article, a relatively simple method to calculate the FCFs is illustrated. An algorithm for the Fourier Grid Hamiltonian (FGH) method for computing the vibrational wave functions and the corresponding energy…

In this experiment, linear polyynes are synthesized and then the predictions of a one-dimensional, particle in a box are used to calculate the quantum mechanical box length for the polyynes. A solution of graphite in ethanol is irradiated with a Nd:YAG laser (532 nm) and the resulting solution is filtered and analyzed. Data from gas…

Described are several spreadsheet templates which use the functions of iteration and logical look-up which allow students to calculate and graph quantum mechanical functions and to simulate rotational and vibrational energy level and spectra. The templates are listed in the appendix. (KR)