Recent Advances in Semiclassical Vibrational Spectroscopy

Semiclassical dynamics is nowadays widely employed for calculation and interpretation of vibrational and vibronic spectra. In this talk I will focus on recent methodological advances for calculation of vibrational spectra on the ground electronic state. After a brief summary of different ways to deal with the issue of the potential energy surface (PES), I will focus on the description of the adiabatically switched semiclassical initial value representation technique, pointing out the advances the approach brings in and demonstrating it with an application to the open problem of proline vibrational spectrum. Finally, I will illustrate a recently developed method to get IR intensities starting from power spectra, which is easy to interface to all semiclassical approaches developed for the calculation of vibrational frequencies.