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Quantum Chemistry and its role in dynamical studies and ultra-cold collisions.

June 17, 2015 - 10:30am
Brendan M. McLaughlin
Centre for Theoretical Atomic and Molecular Physics, Queen’s University Belfast

The structure and properties of molecules and their cations plays a fundamental role in a range of dynamical studies such as; ultra-cold collisions, laser cooling and trapping, dissociative electron attachment, dissociative recombination, electron scattering, photoionization and ultrafast dynamics. Ultra-cold hybrid ion-atom traps offer the possibility of microscopic manipulation of quantum coherence in the gas using the ion as a probe. Inelastic processes, particularly charge transfer can be a significant process of ion loss and is of current interest experimentally.  The study of ultra-cold molecules tightly trapped in an optical lattice can expand the frontier of precision measurements and spectroscopy and lead to a deeper insight into molecular and fundamental physics. Electron-density distributions and potential-energy surfaces are important for predicting the physical properties and chemical reactivity of molecular systems. Angle-resolved photoelectron spectroscopy enables the reconstruction of molecular-orbital densities of species.  I will briefly review the methods used to obtain the structure and dynamics of molecular systems and show how such information can be used in various theoretical studies for a variety of molecular complexes. I will also highlight the fundamental role played by quantum chemistry in all of these investigations.


2115 Computer and Space Sciences
College Park, MD 20742