Arrangement transformation approach to state-to-state quantum reactive scattering H + DH→DH + H, HH + D
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Arrangement transformation approach (ATA) for doing state-to-state quantum reactive scattering calculations of atom-diatom systems is given. The state-to-state results of H + DH on ISTH potential energy surface are presented, and it can be deduced from the results that the ATA method can be used for the system with more than three atoms.
Keywordsarrangement transformation time-dependent stateto-state
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