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Integral and differential elastic cross sections for electron scattering from water for 0.1-15 eV

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Zenodo2021-10-13 更新2026-05-25 收录
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Elastic integral and differential cross sections (DCS) for electron scattering from H<sub>2</sub>O calculated with the R-matrix method within the fixed-nuclei approximation. Details of the calculations can be found in <em>Evaluation of Recommended Cross Sections for the simulation of Electron Tracks in Water</em>, García-Abenza <em>et al.</em>, <em>Atoms</em>, submitted. The models used for the calculations were taken from Gorfinkiel <em>et al.</em> <em>J. Phys. B </em><strong>35</strong> (2002) 543, doi:10.1088/0953-4075/35/3/309 and Faure <em>et al.</em> <em>J. Phys.</em> <strong>37</strong> (2004) 801, doi:10.1088/0953-4075/37/4/007. All energies are in eV, angles in degrees and cross sections in Angstrom**2. The dcs_*** files contain DCS for the energy indicated by the file name for angles between 0 and 180; the integral_cross_section file contains the integral cross section for the energy range indicated by the zip file. These zip files contain the following: <strong>dcs_0-7eV.zip: </strong> data DCS between 0.01 and 6.97 eV calculated using the UKRmol suite and POLYDCS from K-matrices <strong>dcs_7-15eV.zip: </strong>DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and POLYDCS from T-matrices <strong>dcs_noborn_0-7eV.zip:</strong> data DCS between 0.01 and 6.97 eV calculated using the UKRmol suite and POLYDCS from K-matrices treating the molecule as non-polar <strong>dcs_7-15eV.zip: </strong>DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and DCS from T-matrices treating the molecule as non-polar.

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2021-10-13
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