Abstract

We present a close coupled wave packet method to treat reactive collisions in hyperspherical coordinates. Within this approach, the information needed for the time-dependent propagation is the same as that required for a time-independent close coupling treatment. The method is tested on the simple collinear D+H2 reaction. We compare the time-dependent technique with the more established time-independent close coupling treatment. Finally, we show that time-dependent properties are useful to gain insight into the detailed mechanism of the reaction.

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