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

Autor: Stefano Crocchianti, Dimitris Skouteris, Antonio Laganà
Přispěvatelé: Skouteris, Dimitrio, S., Crocchianti, A., Lagana
Rok vydání: 2008
Předmět:
Zdroj: Chemical Physics. 349:170-180
ISSN: 0301-0104
DOI: 10.1016/j.chemphys.2008.02.037
Popis: 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.
Databáze: OpenAIRE