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Taming the fixed-node error in diffusion Monte Carlo via range separation

<p>Suplementary information.</p> <p>Contains the org-mode computational notebook with all the input data (geometries, basis sets, pseudo-potentials) and output data (computed energies, densities, number of determinants) related to the article.</p> <p>A csv file is created by the notebook and an HTML export of the notebook is also provided.</p>

ShareScore

44/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
8

Topics