Abstract
A molecular description of molecular collisions is given in which Eckart coordinates are used for the nuclei and the principal inertia axes are used to define the rotating frame to which the electrons are referred. Coupled equations for the nuclear motion in the Born-Oppenheimer basis are established. Dynamical coupling terms appear as a natural generalisation of those occurring in the diatomic case. Collision channels are straightforwardly defined from the asymptotic properties. The case of reactive collisions is also examined. It is shown that binary dissociation channels correspond to a single continuum and are governed by a single vector or 'chemical pointer'.
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More From: Journal of Physics B: Atomic and Molecular Physics
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