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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资源简介:
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.
创建时间:
2025-07-29



