State-selected reaction probabilities for the collinear reaction He+H~-(v)~HeH++H have been computed for v = 0-4 over a wide range of energies (to the dissociation limit), using the time-dependent wavepacket approach via time-energy mapping of the reactive flux. The results reproduce quantitatively
Resonances in collinear (He, H+2) collisions. A time-dependent quantum-mechanical study
β Scribed by N. Balakrishnan; N. Sathyamurthy
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 933 KB
- Volume
- 201
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Results from a time-dependent quantum-mechanical study of the collinear reaction He+H: +HeH+ +H are reported in the form of reaction probability values as a function of the total energy of the system for different vibrational states of Hz. The resonances are related to flux patterns similar to that of trapped trajectories.
π SIMILAR VOLUMES
Computational limitations of using a time-dependent quantum method to study He + H 2(B) scattering are presented with an analysis of the consequences of the approximation to a 2D model. independent method [2,9].Although some attempts
H +Hz collisions at higher impact parameters can result in the trajectory being deflected towards a collinear Ha configuration by the long range barrier to the insertion mechanism. When the H2 molecule is stretched, this trajectory will be temporarily trapped within a well about the collinear config