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Center for Nonlinear Studies |
In this talk, we will discuss the recent advances in multi-dimensional quantum dynamics of photodissociation of small molecules (water, ammonia, and phenol) on ab initio based multi-dimensional coupled potential energy surfaces. These accurate quantum mechanical results helps to understand an array of issues such as tunneling, non-adiabatic transitions, and mode specificity. They also provide benchmarks for testing semiclassical methods for non-adiabatic transitions.
Host: Alexander White