May 30, 2022 Dataset Open Access

Bao, Jie; Hermes, Matthew R.; Scott, Thais R.; Sand, Andrew M.; Lindh, Roland; Gagliardi, Laura; Truhlar, Donald G.

Dublin Core Export

<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Bao, Jie</dc:creator>
  <dc:creator>Hermes, Matthew R.</dc:creator>
  <dc:creator>Scott, Thais R.</dc:creator>
  <dc:creator>Sand, Andrew M.</dc:creator>
  <dc:creator>Lindh, Roland</dc:creator>
  <dc:creator>Gagliardi, Laura</dc:creator>
  <dc:creator>Truhlar, Donald G.</dc:creator>
  <dc:date>2022-05-30</dc:date>
  <dc:description>This deposist contains xyz files and input and output files as supporting data for “Analytic Gradients for Compressed Multistate Pair-Density Functional Theory,” by J. J. Bao, M. R. Hermes, T. R. Scott, A. M. Sand, R. Lindh, L. Gagliardi, and D. G. Truhlar, to be published in a special Issue of Molecular Physics dedicated to the memory of Lutosław Wolniewicz.</dc:description>
  <dc:identifier>https://zenodo.org/record/7020288</dc:identifier>
  <dc:identifier>10.5281/zenodo.7020288</dc:identifier>
  <dc:identifier>oai:zenodo.org:7020288</dc:identifier>
  <dc:relation>doi:10.5281/zenodo.6596226</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:title>geometries and output files for CMS-PDFT gradient paper</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>