1. A detailed three-dimensional quantum study of the Li+FH reaction.
- Author
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Parker, G. A., Laganà, A., Crocchianti, S., and Pack, R. T
- Subjects
ANGULAR momentum (Mechanics) ,POTENTIAL energy surfaces ,QUANTUM theory - Abstract
Accurate quantum reactive scattering calculations in the full three-dimensional physical space have been carried out for the Li+FH reaction at zero total angular momentum using the adiabatically adjusting principal axis of inertia hyperspherical coordinate formalism. The procedures for fitting the potential energy surface, calculating the surface functions, and propagating the solutions in a coupled channel treatment are given and discussed. Features of the resulting reactive probability plots are analyzed, and simple explanations of a number of the quantum resonance and oscillatory features are found. © 1995 American Institute of Physics. [ABSTRACT FROM AUTHOR]
- Published
- 1995
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