Inellastic Scattering Matrix Elements for the reaction B ( 2P1/2 ) + H2 ( j ) <-> B ( 2P3/2 ) + H2 ( j´ )
Abstract
Scattering matrix elements are computed for the the reaction B ( 2P1/2 ) + H2 ( j ) <-> B ( 2P3/2 ) + H2 ( j´ ). Using a new application of the time dependent Channel Packet Method (CPM), reactant and product wave packets are prepared in the asymptotic limit on the B ( 2P1/2 ) and B ( 2P3/2 ) surfaces. They are propagated using the split operator method together with a unitary transformation between the diabatic and adiabatic representations. Scattering matrix elements are computed from the Fourier transform of the correlation function between the evolving wave packets.
- Publication:
-
APS Ohio Sections Fall Meeting Abstracts
- Pub Date:
- October 1999
- Bibcode:
- 1999APS..OSF..CA05N