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UKRMol+: UKRMol-out

UK R-matrix community


MARC21 XML Export

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    <subfield code="a">UKRMol+: UKRMol-out</subfield>
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    <subfield code="a">&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;</subfield>
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