University of Lille Zenodo Community
Published June 29, 2023 | Version v1
Dataset Open

Dataset: The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems

Authors/Creators

  • 1. CNRS UMR8523

Description

This dataset comprises outputs and post-processing results related to the paper "The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems", by Loic Halbert and Andre Severo Pereira Gomes.

Files

DataPartitioned.zip

Files (687.4 MB)

Name Size
md5:81853a3edffc0bd8b551c2e9f4281f8d
680.0 MB Preview Download
md5:e9fc3837a0d3c48f67e55d22684ce0fa
7.5 MB Preview Download

Additional details

Funding

Agence Nationale de la Recherche
CompRIXS - Computation of Resonant Inelastic X-ray Scattering in the condensed phase across the whole periodic table ANR-19-CE29-0019
Agence Nationale de la Recherche
Cappa - Physiques et Chimie de l'Environnement Atmosphérique ANR-11-LABX-0005
Agence Nationale de la Recherche
ULNE - ULNE ANR-16-IDEX-0004