Bimolecular Reactions
Chemical reactions dynamics is challenging intriguing and at the forefront of chemical physics. I am interested in accurately solving the time-dependent and time-independent quantal Schrödinger equation for reactive and nonreactive processes.
Over the past decade our research has contributed significantly to the current understanding of reactive scattering. One of the first things found in early one-dimensional reactive scattering calculations were quantum resonances (long-lived collision complexes) that can dramatically affect the reaction probabilities. With new methods developed by ourselves and others, it is now possible to do calculations for triatomic systems of real physical interest. It is becoming clear that quantum resonances dominate many if not most systems in the full three-dimensional space. These quantum resonances are system-specific and very sensitive to the potential energy surface and any approximations made, so the only way to really understand them is via accurate quantum dynamics.
