The total angular momentum (J =1,10) S matrix elements of the Li+HF 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.

Correlation of attack and recoil angles for the Li +HF reaction : an exact quantum mechanical study at low and high total angular momentum

Skouteris, Dimitrios
;
2008

Abstract

The total angular momentum (J =1,10) S matrix elements of the Li+HF 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.
2008
Settore CHIM/02 - Chimica Fisica
Stereodynamics; stereodirected; DVR; reaction; Li plus HF; probability; discrete variable representations
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/13411
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