October 13, 2021 Dataset Open Access

Gorfinkiel, J.D.

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  <identifier identifierType="DOI">10.5281/zenodo.5566537</identifier>
  <creators>
    <creator>
      <creatorName>Gorfinkiel, J.D.</creatorName>
      <givenName>J.D.</givenName>
      <familyName>Gorfinkiel</familyName>
      <affiliation>The Open University</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Integral and differential elastic cross sections for electron scattering from water  for 0.1-15 eV</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>electron scattering, cross sections</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-10-13</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/5566537</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.5566536</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Elastic integral and differential cross sections (DCS) for electron scattering from H&lt;sub&gt;2&lt;/sub&gt;O calculated with the R-matrix method within the fixed-nuclei approximation. Details of the calculations can be found in &lt;em&gt;Evaluation of Recommended Cross Sections for the simulation of Electron Tracks in Water&lt;/em&gt;, Garc&amp;iacute;a-Abenza &lt;em&gt;et al.&lt;/em&gt;, &lt;em&gt;Atoms&lt;/em&gt;, submitted. The models used for the calculations were taken from Gorfinkiel &lt;em&gt;et al.&lt;/em&gt; &lt;em&gt;J. Phys. B &lt;/em&gt;&lt;strong&gt;35&lt;/strong&gt; (2002) 543, doi:10.1088/0953-4075/35/3/309 and Faure &lt;em&gt;et al.&lt;/em&gt; &lt;em&gt;J. Phys.&lt;/em&gt; &lt;strong&gt;37&lt;/strong&gt; (2004) 801, doi:10.1088/0953-4075/37/4/007.&lt;/p&gt;

&lt;p&gt;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.&lt;/p&gt;

&lt;p&gt;These zip files contain the following:&lt;/p&gt;

&lt;ul&gt;
	&lt;li&gt;&lt;strong&gt;dcs_0-7eV.zip:&amp;nbsp;&lt;/strong&gt; data DCS between 0.01 and 6.97 eV calculated using the UKRmol suite and POLYDCS from K-matrices&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;dcs_7-15eV.zip: &lt;/strong&gt;DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and POLYDCS from T-matrices&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;dcs_noborn_0-7eV.zip:&lt;/strong&gt;&amp;nbsp; 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&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;dcs_7-15eV.zip: &lt;/strong&gt;DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and DCS from T-matrices treating the molecule as non-polar.&lt;/li&gt;
&lt;/ul&gt;</description>
  </descriptions>
</resource>