Published September 4, 2023
| Version v1
Dataset
Open
Supplementary Material: A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals
Authors/Creators
- 1. University of Pisa
- 2. University of Mainz
Description
This dataset contains all molecular geometries (in Angstrom) used to test the CD-CCSD implementation.
Files
Files
(5.2 kB)
| Name | Size | Download all |
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md5:ed0b6cb32e94c4499f84fe928e7fddbc
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2.0 kB | Download |
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md5:81262ad61a2c2bc769400c6a0003f161
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3.3 kB | Download |