October 13, 2021 Dataset Open Access

Gorfinkiel, J.D.

Dublin Core Export

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  <dc:creator>Gorfinkiel, J.D.</dc:creator>
  <dc:date>2021-10-13</dc:date>
  <dc:description>Elastic integral and differential cross sections (DCS) for electron scattering from H2O calculated with the R-matrix method within the fixed-nuclei approximation. Details of the calculations can be found in Evaluation of Recommended Cross Sections for the simulation of Electron Tracks in Water, García-Abenza et al., Atoms, submitted. The models used for the calculations were taken from Gorfinkiel et al. J. Phys. B 35 (2002) 543, doi:10.1088/0953-4075/35/3/309 and Faure et al. J. Phys. 37 (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:


	dcs_0-7eV.zip:  data DCS between 0.01 and 6.97 eV calculated using the UKRmol suite and POLYDCS from K-matrices
	dcs_7-15eV.zip: DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and POLYDCS from T-matrices
	dcs_noborn_0-7eV.zip:  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
	dcs_7-15eV.zip: DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and DCS from T-matrices treating the molecule as non-polar.
</dc:description>
  <dc:identifier>https://zenodo.org/record/5566537</dc:identifier>
  <dc:identifier>10.5281/zenodo.5566537</dc:identifier>
  <dc:identifier>oai:zenodo.org:5566537</dc:identifier>
  <dc:relation>doi:10.5281/zenodo.5566536</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>electron scattering, cross sections</dc:subject>
  <dc:title>Integral and differential elastic cross sections for electron scattering from water  for 0.1-15 eV</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>