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Data to "Assessment of post-SCF Methods with Localized Basis Sets for Periodic Systems using FCI-QMC"

Stein, Frederick; Kühne, Thomas Dae-Song

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@misc{stein_frederick_2024_3350,
  author       = {Stein, Frederick and
                  Kühne, Thomas Dae-Song},
  title        = {{Data to "Assessment of post-SCF Methods with 
                   Localized Basis Sets for Periodic Systems using
                   FCI-QMC"}},
  month        = dec,
  year         = 2024,
  doi          = {10.14278/rodare.3350},
  url          = {https://doi.org/10.14278/rodare.3350}
}
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Publication date:
December 20, 2024
DOI:
10.14278/rodare.3350

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10.14278/rodare.3350

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Keyword(s):
FCIDUMP correlated methods CP2K Full configuration interaction quantum monte carlo density functional theory NECI
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-40321
Referenced by:
https://www.hzdr.de/publications/Publ-40343
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License (for files):
Creative Commons Attribution 4.0 International

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Version 1.0 10.14278/rodare.3350 Dec 20, 2024
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Stein, Frederick, & Kühne, Thomas Dae-Song. (2024). Data to "Assessment of post-SCF Methods with Localized Basis Sets for Periodic Systems using FCI-QMC" (Version 1.0) [Data set]. Rodare. http://doi.org/10.14278/rodare.3350
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