We study the effect of overlapping resonances on the angular distributions of the reaction F+H2?v=0,j=0?->HF?v=2,j=0?+H in the collision energy range from 5 to 65 meV, i.e., under the reaction barrier. Reactive scattering calculations were performed using the hyperquantization algorithm on the potential energy surface of Stark and Werner ?J. Chem. Phys. 104, 6515 ?1996??. The positions of the Regge and complex energy poles are obtained by Padé reconstruction of the scattering matrix element. The Sturmian theory is invoked to relate the Regge and complex energy terms. For two interacting resonances, a two-sheet Riemann surface is contracted and inverted. The semiclassical complex angular momentum analysis is used to decompose the scattering amplitude into the direct and resonance contributions.
Interacting resonances in the F+H2 reaction revisited: Complex terms, Riemann surfaces and angular distributions
D De Fazio
2007
Abstract
We study the effect of overlapping resonances on the angular distributions of the reaction F+H2?v=0,j=0?->HF?v=2,j=0?+H in the collision energy range from 5 to 65 meV, i.e., under the reaction barrier. Reactive scattering calculations were performed using the hyperquantization algorithm on the potential energy surface of Stark and Werner ?J. Chem. Phys. 104, 6515 ?1996??. The positions of the Regge and complex energy poles are obtained by Padé reconstruction of the scattering matrix element. The Sturmian theory is invoked to relate the Regge and complex energy terms. For two interacting resonances, a two-sheet Riemann surface is contracted and inverted. The semiclassical complex angular momentum analysis is used to decompose the scattering amplitude into the direct and resonance contributions.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.