Published November 22, 2021 | Version v1.0.0
Dataset Open

Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states

Authors/Creators

  • 1. University of Pittsburgh
  • 2. University of Vienna

Description

Data at the time of submission.

Files

keithgroup/qa-atoms-data-v1.0.0.zip

Files (308.1 MB)

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md5:fd69f4fa7759e3a355244967b6727cbe
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Additional details

Related works

Is derived from
https://github.com/keithgroup/qa-atoms-data/tree/v1.0.0 (URL)