Dataset Open Access

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

Stein, Frederick; Kühne, Thomas Dae-Song

BibTeX Export

@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}
}
624
75
views
downloads
All versions This version
Views 624624
Downloads 7575
Data volume 308.3 GB308.3 GB
Unique views 578578
Unique downloads 7575
More info on how stats are collected.
Publication date:
December 20, 2024
DOI:
10.14278/rodare.3350

RODARE DOI Badge

DOI 

10.14278/rodare.3350

Markdown 

[![DOI](https://rodare.hzdr.de/badge/DOI/10.14278/rodare.3350.svg)](https://doi.org/10.14278/rodare.3350)

reStructedText 

.. image:: https://rodare.hzdr.de/badge/DOI/10.14278/rodare.3350.svg
   :target: https://doi.org/10.14278/rodare.3350

HTML 

<a href="https://doi.org/10.14278/rodare.3350"><img src="https://rodare.hzdr.de/badge/DOI/10.14278/rodare.3350.svg" alt="DOI"></a>

Image URL 

https://rodare.hzdr.de/badge/DOI/10.14278/rodare.3350.svg

Target URL 

https://doi.org/10.14278/rodare.3350

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
Communities:
License (for files):
Creative Commons Attribution 4.0 International

Versions

Version 1.0 10.14278/rodare.3350 Dec 20, 2024
Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.3349. This DOI represents all versions, and will always resolve to the latest one. Read more.

Share

Cite as

Export