Christopher S. Drew, University of Nottingham
Semiclassical transmission across multidimensional barriers.
The reaction probability in chemical reactions can be calculated
from the quantum mechanical scattering operator. A phase space
representation
of the scattering operator is considered and illustrated numerically using a
two-dimensional waveguide model of a collinear atom-diatom reaction. We
consider two methods for approximating this phase space representation
semiclassically using complexified trajectories through the waveguide.
Firstly
a method that uses the linearised dynamics and so is only valid for a small
region of phase-space but is uniformally valid across the barrier energy.
Secondly a more involved non-linear method that is valid over a larger
region
of phase space and shows significantly improved numerical agreement.