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

Citation
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
Citations number
8
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
304
Issue
1-2
Year of publication
1999
Pages
121 - 125
Database
ISI
SICI code
0009-2614(19990423)304:1-2<121:AQSSOT>2.0.ZU;2-8
Abstract
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 Elsevier Science B.V. All rights reserved.