Elastic scattering of twisted electrons by CO$_2$ molecules at high energies

Raul Sheldon Pinto; Rakesh Choubisa

doi:10.1088/1361-6455/ae0221

paper

Elastic scattering of twisted electrons by CO $_{2}$ molecules at high energies

arXiv:2407.19801 · doi:10.1088/1361-6455/ae0221

Abstract

Elastic scattering of a twisted (Bessel) electron beam by CO $_{2}$ molecules is studied theoretically at high energies. The molecule's structure is optimized using coupled cluster theory and density functional theory with correlation-consistent and Pople basis sets. Coulomb potentials are used in the static approximation. The differential and total scattering cross-sections are computed in the first Born approximation. All cross-sections are orientation-averaged using a passive rotational averaging technique. The scattering is studied by the impact of the twisted beam with topological charges in the range $m_{l}$ = 1 and $m_{l}$ = 20. The cross sections are, in addition, averaged over the target's impact parameters, which accounts for the cross sections of a large distribution of CO $_{2}$ molecules. Finally, the molecule's total cross-section by plane waves and twisted beams is reported. The proposed methodology can be applied to study any polyatomic molecule, regardless of its structure.

arXiv commentAccepted version. Published in J. Phys. B: At. Mol. Opt. Phys. 58 (2025) 175102. DOI: 10.1088/1361-6455/ae0221

Elastic scattering of twisted electrons by CO2​ molecules at high energies

Abstract

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Elastic scattering of twisted electrons by CO $_{2}$ molecules at high energies