Taming the fixed-node error in diffusion Monte Carlo via range separation
Anthony Scemama, Emmanuel Giner, Anouar Benali, Pierre‐François Loos · Zenodo (CERN European Organization for Nuclear Research) · 2020
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.