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UKRMol+: UKRMol-out

UK R-matrix community


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  <identifier identifierType="DOI">10.5281/zenodo.3260785</identifier>
  <creators>
    <creator>
      <creatorName>UK R-matrix community</creatorName>
    </creator>
  </creators>
  <titles>
    <title>UKRMol+: UKRMol-out</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2019</publicationYear>
  <subjects>
    <subject>electron scattering, photoionization</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2019-06-28</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3260785</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.2630570</relatedIdentifier>
  </relatedIdentifiers>
  <version>2.0.2</version>
  <rightsList>
    <rights rightsURI="https://opensource.org/licenses/LGPL-3.0">GNU Lesser General Public License v3.0 or later</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Outer region programs for the reengineered UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules (BTO/GTO continuum). Also calculates photoionization cross sections.&lt;/p&gt;

&lt;p&gt;For a complete list of the authors who contributed to this software see https://www.ukamor.com/ and a file in the release tarball (after release 2.0.2).&lt;/p&gt;

&lt;p&gt;Features of this version:&lt;/p&gt;

&lt;ul&gt;
	&lt;li&gt;generates input for molecular RMT calculations&lt;/li&gt;
	&lt;li&gt;includes program DIPELM to calculate photoionization cross sections&lt;/li&gt;
&lt;/ul&gt;

&lt;p&gt;This version corrects an inconsistency in SWINTERF that caused trouble with the gnu compiler. This version uses GBTOlib 1.0.3.&lt;/p&gt;</description>
    <description descriptionType="Other">Software development supported by EPSRC, CCPQ, UK-AMOR and others.</description>
  </descriptions>
</resource>
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