Reactant–product decoupling approach to state-resolved reactive scattering Time-independent wavepacket formulation
Abstract
Recently a formalism has been derived that rigorously partitions
the time-dependent wavepacket for a reactive scattering system into
mutually disjoint pieces satisfying uncoupled equations. Equations are
set up for the time-evolution of the various arrangement pieces of the
wavepacket by using absorbing potentials to decouple the initial
arrangement dynamics from the other arrangements, and emitting
potentials to provide sources for the scattering in each product
arrangement. Here, we present the time-independent wavepacket
equations that result from this reactant–product decoupling and
illustrate their solution with an example calculation on collinear
H+H
2
.
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