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Improving the Description of Electronically Inelastic Scattering of Electrons by the Furan Molecule

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https://figshare.com/articles/dataset/Improving_the_Description_of_Electronically_Inelastic_Scattering_of_Electrons_by_the_Furan_Molecule/29671314
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We present elastic and electronically inelastic cross-sections for low-energy electron scattering (up to 30 eV) by the gas-phase furan molecule. The calculated cross sections were obtained using the Schwinger multichannel method implemented with norm-conserving pseudopotentials. The influence of multichannel coupling effects was investigated by comparing four distinct scattering models, each employing a different channel coupling scheme. Our results for elastic and electronically inelastic scattering show excellent agreement with the available experimental data. For electronically inelastic collisions, despite the limited literature, the model with 197 channels demonstrates remarkable correspondence with experimental cross sections, highlighting the critical role of accurately accounting for multichannel coupling effects to obtain a reliable theoretical prediction for the corresponding cross-sections.
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2025-07-29
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