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Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals
<p>Initial and optimized geometries from the manuscript "Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals"</p>
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32/100
Overall dataset sharing score
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These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
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- 16
- Reuse readiness
- 8
- Engagement
- 0