October 6, 2023 Dataset Open Access

Ramakrishna, Kushal; Lokamani, Mani; Baczewski, Andrew; Vorberger, Jan; Cangi, Attila

MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nmm##2200000uu#4500</leader>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">&lt;p&gt;Simulation and literature data on the electrical and thermal conductivity of high-pressure iron. The raw simulation data was generated from time-dependent density functional theory calculations. Post-processing was applied to obtain the transport properties (conductivities) as described in the associated journal publication. The literature data was compiled from available publication data as referenced in the associated journal publication.&lt;/p&gt;</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">https://creativecommons.org/licenses/by/4.0/legalcode</subfield>
    <subfield code="a">Creative Commons Attribution 4.0 International</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">dataset</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">10.1088/2516-1075/acfd75</subfield>
    <subfield code="i">references</subfield>
    <subfield code="n">doi</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">https://www.hzdr.de/publications/Publ-37622</subfield>
    <subfield code="i">isIdenticalTo</subfield>
    <subfield code="n">url</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">https://www.hzdr.de/publications/Publ-37621</subfield>
    <subfield code="i">isReferencedBy</subfield>
    <subfield code="n">url</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">10.14278/rodare.2498</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="n">doi</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Lokamani, Mani</subfield>
    <subfield code="0">(orcid)0000-0001-8679-5905</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Baczewski, Andrew</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Vorberger, Jan</subfield>
    <subfield code="0">(orcid)0000-0001-5926-9192</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Cangi, Attila</subfield>
    <subfield code="0">(orcid)0000-0001-9162-262X</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-rodare</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.14278/rodare.2499</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="a">Ramakrishna, Kushal</subfield>
    <subfield code="0">(orcid)0000-0003-4211-2484</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Time-dpenedent density functional theory</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Electronic structure</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">Electrical conductivity</subfield>
  </datafield>
  <controlfield tag="005">20231009125544.0</controlfield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">7114256</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/2499/files/Iron_TDDFT_ElecStructure_repo.tar.xz</subfield>
    <subfield code="z">md5:fc7859b302da05b996b08ff60bc6c0ce</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="o">oai:rodare.hzdr.de:2499</subfield>
    <subfield code="p">openaire_data</subfield>
    <subfield code="p">user-rodare</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <controlfield tag="001">2499</controlfield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2023-10-06</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">Data publication: Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory</subfield>
  </datafield>
</record>