Presidential Young Investigator Award: Highly Excited Dynamics and Spectroscopy of Polyatomic Molecules

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Professor Sibert is a Presidential Young Investigator awardee. His research is in the Theoretical and Computational Physical Chemistry Program of the Chemistry Division. He will study the mechanisms and pathways of intramolecular energy flow. These studies play a vital role in unimolecular rate theories, laser induced dissociation, mode selective effects, and the determination of potential energy surfaces. Alternative quantum mechanical approaches will be explored and developed for systems with more than two degrees-of-freedom. Effective Hamiltonians will be developed for vibrational problems using canonical Van Vleck perturbation theory to understand the complex nature of excited states. Application of this theory in an operator framework obviates the need for large basis sets in the analysis of spectra and dynamics by including only the most central rotation-vibration couplings.