F+H/sub 2/ collisions on two electronic potential energy surfaces: Quantum-mechanical study of the collinear reaction
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:5772925
Collinear quantum calculations are carried out for reactive F+H/sub 2/ collisions on two electronic potential energy surfaces. The resulting transmission and reflection probabilities exhibit much greater variation with energy than single-surface studies would lead us to anticipate. Transmission to low-lying product channels is increased by orders of magnitude by the presence of the second surface; however, branching ratios among product states are found to be independent of the initial electronic state of the reactants. These apparently contradictory aspects of the calculation are discussed and a tentative explanation put forward to resolve them.
- Research Organization:
- Department of Physics, Clarkson College, Potsdam, New York 13676
- OSTI ID:
- 5772925
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 71:10; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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