A quantum scattering study of the collinear state-to-state reaction probabilities for the F+H-2(0)-> HF(upsilon ')+H system on a new potential energysurface
Wy. Ma et al., A quantum scattering study of the collinear state-to-state reaction probabilities for the F+H-2(0)-> HF(upsilon ')+H system on a new potential energysurface, CHEM P LETT, 304(1-2), 1999, pp. 121-125
A new quantum scattering approach, linear combination of arrangement channe
ls-scattering wavefunction (LCAC-SW) proposed by Deng and co-workers [Sci.
China B 24 (1994) 463] is used to calculate the collinear state-to-state re
action probabilities for the F + H-2(0) --> HF(upsilon') + H system on the
6SEC potential energy surface (PES). The calculated results reflect the cha
racter of PES accurately (there is a 'shallow hollow' along the reaction co
ordinate on the 6SEC potential energy surface). They are compared with othe
r theoretical research reported in the literature. It is shown that the LCA
C-SW approach is one of the successful quantum scattering methods. (C) 1999
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