May 30, 2022 Dataset Open Access

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

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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.6596227", 
  "author": [
    {
      "family": "Bao, Jie"
    }, 
    {
      "family": "Hermes, Matthew R."
    }, 
    {
      "family": "Scott, Thais R."
    }, 
    {
      "family": "Sand, Andrew M."
    }, 
    {
      "family": "Lindh, Roland"
    }, 
    {
      "family": "Gagliardi, Laura"
    }, 
    {
      "family": "Truhlar, Donald G."
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2022, 
        5, 
        30
      ]
    ]
  }, 
  "abstract": "<p>This deposist contains xyz files and input and output files as supporting data for &ldquo;Analytic Gradients for Compressed Multistate Pair-Density Functional Theory,&rdquo; 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 Lutos\u0142aw Wolniewicz.</p>", 
  "title": "geometries and output files for CMS-PDFT gradient paper", 
  "type": "dataset", 
  "id": "6596227"
}