4.7 Article

Quantum reactive scattering with a transmission-free absorbing potential

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 120, Issue 5, Pages 2247-2254

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.1637584

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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+H-2,F+H-2, and H+O-2 reactions. (C) 2004 American Institute of Physics.

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