Published January 25, 2025 | Version v1
Dataset Open

Dataset for the article "A Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure"

Authors/Creators

  • 1. ROR icon University of Iceland
  • 2. ROR icon Max-Planck-Institut für Kohlenforschung
  • 3. ROR icon Friedrich-Alexander-Universität Erlangen-Nürnberg
  • 4. ROR icon Max Planck Institute for the Science of Light

Files

GPAW.zip

Files (2.6 GB)

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md5:e4c6e3b6f9920b60fc30573dc769a1bb
163.8 MB Preview Download
md5:f2f741f36e02c7db9692d734155898bc
739 Bytes Preview Download
md5:e8358f87d440a41a9f81b72213e73168
2.5 GB Preview Download