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Low-Energy Electron Scattering from 2‑Butyne: Elastic and Electronic Excitation Processes
Murilo O Silva1,2, Luiz V S Dalagnol1,2, Giseli M Moreira3
1Departamento de Física, Universidade Federal do Paraná, Caixa Postal 81531-980 Curitiba 19044, Paraná, Brazil.
Abstract:
We report integral and differential cross sections for elastic and electronically inelastic electron scattering from the 2-butyne molecule. We considered excitations from the ground state to the 13 B 2, 13 A 2, 23 B 2, 23 A 2, 11 A 2, 21 A 2, 11 B 2, 11 A 1 and 11 B 1 excited states. The scattering amplitudes were computed using the Schwinger multichannel method implemented with norm-conserving pseudopotentials for incident electron energies from 0.01 eV up to 50 eV. The calculations were performed within a minimal orbital basis for single-configuration interaction strategy, at the close-coupling level including up to 247 open channels. In addition, total ionization cross sections were obtained using the Binary-Encounter-Bethe model. By combining the ionization cross sections with the present elastic and electronically inelastic results, we provide an estimate for the total cross section.
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