Effects of Ultrafast and Coherent Electronic and Nuclear Motions in Photochemical Processes

Northwestern PIs will perform basic research as outlined in the proposal. This includes the development of DFT methods for describing excited state dynamics and time-resolved x-ray and UV/vis measurements in transition metal complexes. In addition, we will develop INDO electronic structure methods for modeling the interaction of photoexcited gold nanoparticles with molecules located on the surface of the nanoparticles, including for acoustic mode excitation of the nanoparticle. The work will be performed with the assistance of a fractional postdoc and graduate student, as outlined in the budget, using facilities available at Northwestern.