Theoretical spectroscopy focuses on understanding the origin of spectral features across all regions of the electromagnetic spectrum. Using first-principles quantum-chemical methods and sophisticated Hamiltonians, we develop both predictions for subsequent experiments and analyses of measured spectra.
In the ultraviolet and visible region, we study photophysical and photochemical processes in Earth’s atmosphere as well as in exoplanetary atmospheres—i.e., planets beyond our Solar System.
In the infrared region, our research is primarily oriented toward vibrational circular dichroism.
The microwave region is covered from both the perspectives of crystal structures and their weak interactions (terahertz spectroscopy), for example in pharmaceutical compounds, and of determining highly precise geometries of small molecules, such as those relevant to the identification of species in interstellar space. This research extends into the radio-frequency region as well.
