April 5, 2019 Software Open Access

UK R-matrix community

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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3260785", 
  "language": "eng", 
  "title": "UKRMol+: UKRMol-out", 
  "issued": {
    "date-parts": [
      [
        2019, 
        4, 
        5
      ]
    ]
  }, 
  "abstract": "<p>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.</p>\n\n<p>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).</p>\n\n<p>Features of this version:</p>\n\n<ul>\n\t<li>generates input for molecular RMT calculations</li>\n\t<li>includes program DIPELM to calculate photoionization cross sections</li>\n</ul>\n\n<p>This version corrects an inconsistency in SWINTERF that caused trouble with the gnu compiler. This version uses GBTOlib 1.0.3.</p>", 
  "author": [
    {
      "family": "UK R-matrix community"
    }
  ], 
  "note": "Software development supported by EPSRC, CCPQ, UK-AMOR and others.", 
  "version": "2.0.2", 
  "type": "article", 
  "id": "3260785"
}