Published November 29, 2021
| Version v1
Dataset
Open
Data: Gradient expansions for the large-coupling strength limit of the Møller-Plesset adiabatic connection (arXiv:2111.13146)
- 1. Vrije Universiteit Amsterdam
Description
Data corresponding to the work Gradient expansions for the large-coupling strength limit of the Møller-Plesset adiabatic connection (https://arxiv.org/abs/2111.13146).
The zip file contains:
- Data for the functional E_el and W_1/2 for all the systems presented in the article (.csv files)
- Minimising positions for all the systems presented in the article (.csv files)
- Checkpoint Files for all the calculations done with PySCF 1.7.6.
Notes
Funded by the Netherlands Organisation for Scientific Research under Vici grant 724.017.001.
Files
DataGEA2MP2SC.zip
Files
(29.1 MB)
| Name | Size | Download all |
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md5:1574718d89069fc0283392aaabf53e3d
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Additional details
Related works
- Is part of
- Preprint: arXiv:2111.13146 (arXiv)