Software Open Access

ChronusQuantum

Li, Xiaosong; Williams-Young, David; Valeev, Edward; DePrince III, Eugene; Hammes-Schiffer, Sharon; Sun, Qiming; Petrone, Alessio; Wildman, Andrew; Hu, Hang; Zhang, Tianyuan; Stetina, Torin; Grofe, Adam; Cooper, Brandon; Hoyer, Chad; Liu, Hongbin; Goings, Joshua; Koulias, Lauren; Lu, Lixin; Zhao, Luning; Sun, Shichao; Liu, Xiaolin


DataCite XML Export

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      <affiliation>Yale University</affiliation>
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    <creator>
      <creatorName>Sun, Qiming</creatorName>
      <givenName>Qiming</givenName>
      <familyName>Sun</familyName>
      <affiliation>AxiomQuant</affiliation>
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      <creatorName>Petrone, Alessio</creatorName>
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      <creatorName>Hoyer, Chad</creatorName>
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      <creatorName>Liu, Hongbin</creatorName>
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      <creatorName>Lu, Lixin</creatorName>
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      <creatorName>Zhao, Luning</creatorName>
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      <affiliation>University of Washington</affiliation>
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      <creatorName>Sun, Shichao</creatorName>
      <givenName>Shichao</givenName>
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      <affiliation>University of Washington</affiliation>
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      <creatorName>Liu, Xiaolin</creatorName>
      <givenName>Xiaolin</givenName>
      <familyName>Liu</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-2157-265X</nameIdentifier>
      <affiliation>University of Washington</affiliation>
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  <titles>
    <title>ChronusQuantum</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>Computational Chemistry</subject>
    <subject>Quantum Mechanics</subject>
    <subject>Electronic Structure</subject>
    <subject>Density Functional Theory</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-12-08</date>
  </dates>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/4312249</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsReferencedBy" resourceTypeGeneral="JournalArticle">10.1002/wcms.1436</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsContinuedBy" resourceTypeGeneral="Software">https://urania.chem.washington.edu/chronusq/chronusq_public</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsDocumentedBy" resourceTypeGeneral="Text">https://urania.chem.washington.edu/chronusq/chronusq_public/-/wikis/home</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.4110974</relatedIdentifier>
  </relatedIdentifiers>
  <version>0.5.0</version>
  <rightsList>
    <rights rightsURI="https://opensource.org/licenses/GPL-2.0">GNU General Public License v2.0 or later</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Chronus Quantum is an &lt;em&gt;ab initio&lt;/em&gt; computational chemistry software package that focuses on explicitly time-dependent and unconventional post-SCF quantum mechanical methods.&lt;/p&gt;</description>
  </descriptions>
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