A quasiclassical trajectory test for a potential energy surface of the Li+HF reaction
- 15 December 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 77 (12), 6341-6342
- https://doi.org/10.1063/1.443840
Abstract
A three-dimensional quasiclassical trajectory study of the Li→HF→LiF+H reaction has been performed on a recently proposed analytical potential energy surface (PES) fitted to ab initio points. The results of the calculations are compared with the experiment. Previous related work on a semiempirical PES is noted.Keywords
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