Research data supporting "A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems"

Zip file containing integral files (FCIDUMP files), outputs (.out files) and analysis files (.dat files) used to generate figures and tables in "A hybrid stochastic configuration interaction–coupled cluster approach for multireference systems". The integral files are in the FCIDUMP format, obtained using the PySCF software. Output files are obtained from a development version of HANDE QMC or in-house python scripts. Analysis of QMC output was carried out using the pyhande module included in the HANDE distribution. See the README files for information about the contents of each folder.