Title of article :
Flux analysis for calculating reaction probabilities with real wave packets
Author/Authors :
Meijer، نويسنده , , Anthony J.H.M. and Goldfield، نويسنده , , Evelyn M. and Gray، نويسنده , , Stephen K. and Balint-Kurti، نويسنده , , Gabriel G.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Pages :
7
From page :
270
To page :
276
Abstract :
A recent approach to obtain scattering probabilities involves propagating the real part of a wave packet and analysis in the asymptotic product channel. We show that real wave packet propagation can also be used with analysis methods based on flux through a surface. We also show the relation between asymptotic product analysis and flux-based methods. Flux analysis with real wave packets is illustrated with an application to D + H2→ DH + H in three dimensions.
Journal title :
Chemical Physics Letters
Serial Year :
1998
Journal title :
Chemical Physics Letters
Record number :
1774960
Link To Document :
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