I. Theoretical Studies of Geometric Phase Evolution in Polyatomic Molecules II. Theoretical Studies of Phase- Coherent Optical Spectroscopy

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The Theoretical and Computational Chemistry Program of the Chemistry Division is supporting research by Professor Cina on numerical and analytical studies of the time evolution of electronic geometric phase factors under large amplitude nuclear motion in polyatomic molecules. Dynamics calculations pertinent to oriented and unoriented samples are being used to investigate the possibility of experimental observation of quantum adiabatic phase effects. Theoretical studies of ultrafast phase-coherent optical spectroscopy on interacting chemical systems are also being carried out. %%% It may be possible to use laser irradiation to direct and control the course of chemical reactions. In order to achieve this objective, the pathways for redistribution of energy within an absorbing molecule must be better understood. Professor Cina's theoretical calculations are intended to probe the possibility for a number of seminal experiments in this field.