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Algebraic Semi-Classical Model For Reaction Dynamics, Tim Glenn Wendler

Theses and Dissertations

We use an algebraic method to model the molecular collision dynamics of a collinear triatomic system. Beginning with a forced oscillator, we develop a mathematical framework upon which inelastic and reactive collisions are modeled. The model is considered algebraic because it takes advantage of the properties of a Lie algebra in the derivation of a time-evolution operator. The time-evolution operator is shown to generate both phase-space and quantum dynamics of a forced oscillator simultaneously. The model is considered semi-classical because only the molecule's internal degrees-of-freedom are quantized. The relative translation between the colliding atom and molecule in an exchange reaction …