Published August 23, 2020 | Version 1.0.0.0
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Taming the fixed-node error in diffusion Monte Carlo via range separation

Authors/Creators

  • 1. CNRS
  • 2. Argonne National Laboratory

Description

Suplementary information.

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.

A csv file is created by the notebook and an HTML export of the notebook is also provided.

Files

Files (449.4 kB)

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md5:b86a689d512ea0cabcfef4b98f49466f
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Additional details

Related works

Is supplement to
Journal article: 10.1063/5.0026324 (DOI)
Preprint: arXiv:2008.10088 (arXiv)