Last updated 01/2022
To investigate and subsequently overcome the major challenges in earth’s climate change, it is crucial to probe the molecular composition of earth’s atmosphere. Molecules in the atmosphere are commonly characterized by infrared spectroscopy where molecular vibration is measured. However, to achieve a reliable characterization of experimentally measured spectra, calculation of molecular vibration (beyond the harmonic approximation) is mandatory. In recent years, solving the time-independent nuclear Schrödinger equation to calculate molecular vibration has been significantly improved. In that context, we collaborate with experimentalists and theoreticians to establish physicochemical justifications for spectra of atmospherically relevant molecules, such as water, carbon dioxide, methane, etc. We aim on promoting both, the development of computational methods and the improvement of experimental interpretation.