Chemical Aspects of Few-Body Dynamics: Ion-molecule Collisions, Periodic Orbit Analysis of Vibrational Spectra, and the Semiclassical Theory of Coulomb Systems

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Professor Gregory Ezra is supported by a grant from the Theoretical and Computational Chemistry Program to continue his work in theoretical studies of few body dynamics. Ezra applies quantum, classical and semiclassical methodologies to investigate problems such as: 1) complex formation in ion-molecule reactions with emphasis on proton transfer reactions; 2) classical-quantum correspondence in coupled oscillator systems; and 3) semiclassical theory of few-body Coulomb systems. A basic theme of Ezra's work is the relation between the classical and quantum mechanics of nonintegrable systems such as molecular Hamiltonians or multi-electron atoms. The primary aim of Ezra's work is a detailed understanding of energy flow within a molecule and its consequences for spectroscopy and chemical kinetics. Chemically useful correlations are being sought between the shape of a molecular potential energy surface and the associated reactive bound state dynamics. These correlations will aid in gaining a deeper fundamental understanding of chemical dynamics.