期刊
CHEMICAL PHYSICS
卷 349, 期 1-3, 页码 170-180出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2008.02.037
关键词
stereodynamics; stereodirected; DVR; reaction; Li plus HF; probability
The total angular momentum (J = 1, 10) S matrix elements of the Li + H F reaction have been calculated using a time independent method, and matrix transformed to the stereodirected and Gauss-Legendre discrete variable representations. This paper extends to higher partial waves the study on the stereodynamics of the Li + HF reaction performed at a total angular momentum J = 0. The work is focused on the orbital angular momentum (L) substates rather than on the projections K on the intermolecular axis and emphasis is given to a space-fixed rather than to a body fixed view of the collision process. A detailed comparison of stereodirected and discrete variable representations is also made. (c) 2008 Published by Elsevier B.V.
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