Abstract
The Feshbach projection operator theory is applied to the study of resonances in model 3D atom–diatom chemical reactions. A resonance formalism based on the Feshbach theory along with the computational techniques described previously are used to solve the Schrödinger equation and interpret the numerical results. Resonance positions are formally explained by the interaction of open channel shape resonances and closed channel ‘‘zero-order resonance states.’’ Illustrations are provided by the numerical results. In particular, resonances occurring near channel thresholds are predicted formally and illustrated numerically. In addition, the role of closed channels is illustrated numerically and is explained in the context of the Feshbach theory. This work represents the first application of the Feshbach resonance theory to three-dimensional reactive molecular collisions.
Published Version
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