The aim of the present paper is to bring clarity, through simplicity, to the important and long-standing problem: does a resonance contribute to the forward-angle scattering of the F + H reaction? We reduce the problem to its essentials and present a well-defined, yet rigorous and unambiguous, investigation of structure in the differential cross sections (DCSs) of the following three state-to-state reactions at a translational energy of 62.09 meV: F + H( = 0, = 0, = 0) → FH( = 3, = 0, 1, 2, = 0) + H, where , , and , , are the initial and final vibrational, rotational and helicity quantum numbers respectively. , we carry out quantum-scattering calculations for the Fu-Xu-Zhang potential energy surface, obtaining accurate numerical scattering matrix elements for indistinguishable H. The calculations use a time-independent method, with hyperspherical coordinates and an enhanced Numerov method. , the following theoretical techniques are employed to analyse structures in the DCSs: (a) full and Nearside-Farside (NF) partial wave series (PWS) and local angular momentum theory, including resummations of the full PWS up to second order. (b) The recently introduced "CoroGlo" test, which lets us distinguish between glory and corona scattering at forward angles for a Legendre PWS. (c) Six asymptotic (semiclassical) forward-angle glory theories and three asymptotic farside rainbow theories, valid for rainbows at sideward-scattering angles. (d) Complex angular momentum (CAM) theories of forward and backward scattering, with the Regge pole positions and residues computed by Thiele rational interpolation. , our conclusions for the three PWS DCSs are: (a) the forward-angle peaks arise from glory scattering. (b) A broad (hidden) farside rainbow is present at sideward angles. (c) A single Regge pole contributes to the DCS across the whole angular range, being most prominent at forward angles. This proves that a resonance contributes to the DCSs for the three transitions. (d) The diffraction oscillations in the DCSs arise from NF interference, in particular, interference between the Regge pole and direct subamplitudes.
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http://dx.doi.org/10.1039/d3cp04734b | DOI Listing |
Phys Chem Chem Phys
January 2024
Department of Physical Chemistry, University of the Basque Country, 48940 Leioa, Bizkaia, Spain.
The aim of the present paper is to bring clarity, through simplicity, to the important and long-standing problem: does a resonance contribute to the forward-angle scattering of the F + H reaction? We reduce the problem to its essentials and present a well-defined, yet rigorous and unambiguous, investigation of structure in the differential cross sections (DCSs) of the following three state-to-state reactions at a translational energy of 62.09 meV: F + H( = 0, = 0, = 0) → FH( = 3, = 0, 1, 2, = 0) + H, where , , and , , are the initial and final vibrational, rotational and helicity quantum numbers respectively. , we carry out quantum-scattering calculations for the Fu-Xu-Zhang potential energy surface, obtaining accurate numerical scattering matrix elements for indistinguishable H.
View Article and Find Full Text PDFViruses
March 2023
UK Centre for Ecology & Hydrology, Benson Lane, Crowmarsh Gifford, Oxfordshire OX10 8BB, UK.
Phys Rev Lett
April 2022
Dipartimento di Fisica and Arnold-Regge Center, Università di Torino, and INFN, Sezione di Torino, Via P. Giuria 1, I-10125 Torino, Italy.
The high-energy limit of gauge-theory amplitudes features both a Regge pole and Regge cuts. We show how to disentangle these, and hence how to determine the Regge trajectory beyond two loops. While the nonplanar part of multiple Reggeon t-channel exchange forms a Regge cut, the planar part contributes to the pole along with the single Reggeon.
View Article and Find Full Text PDFInt J Mol Sci
April 2020
Clark Atlanta University, Department of Physics and CTSPS, Atlanta, Georgia 30314, USA.
We first explore negative-ion formation in fullerenes C to C through low-energy electron elastic scattering total cross sections calculations using our Regge-pole methodology. Then, the formed negative ions C to C are used to investigate the catalysis of water oxidation to peroxide and water synthesis from H and O. The exploited fundamental mechanism underlying negative-ion catalysis involves hydrogen bond strength-weakening/breaking in the transition state.
View Article and Find Full Text PDFJ Phys Chem A
December 2019
Department of Chemistry , The University of Manchester, Manchester M13 9PL , United Kingdom.
We analyze the physical content of structures present in the product differential cross sections (DCSs) of the benchmark F + H(, , ) → FH(, , ) + H reaction, where , , and are the vibrational, rotational, and helicity quantum numbers, respectively, for the initial and final states. We analyze three state-to-state transitions: 000 → 300, 000 → 310, and 000 → 320. Accurate quantum matrix elements are employed at a translational energy of 0.
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