ETD

• Internal Coordinates
• Resonance Raman
• Vibronic spectroscopy

The research project of Alberto Baiardi involves the development of a time-dependent method for the calculation of vibronic spectra. Particular care has been paid to the application of the framework to Resonance-Raman spectroscopy. The theory has be also extended to the use of internal coordinate system, in order to study flexible molecules. All the framework has been implemented inside the well-known computational chemistry package GAUSSIAN and applied to the simulation of spectra of medium and large size molecules.