- A recently derived transmission-free absorbing potential is applied to the study of atom-diatom chemical reactions. This absorbing potential only depends on a single parameter--the width of the absorbing region--and its reflection properties are guaranteed to improve as this parameter is increased. Converged results can therefore be obtained very easily, as we illustrate with time-dependent wave packet calculations on the H + H2,F + H2, and H + O2 reactions.
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Quantum reactive scattering with a transmission-free absorbing potential.
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