Big data benchmarking: how do DFT methods across the rungs of Jacob's ladder perform for a dataset of 122k CCSD(T) total atomization energies?
Crossref DOI link: https://doi.org/10.1039/D4CP00387J
Published Online: 2024
Update policy: https://doi.org/10.1039/rsc_crossmark_policy
Karton, Amir https://orcid.org/0000-0002-7981-508X
Funding for this research was provided by:
National Computational Infrastructure (dv9)
Accepted Manuscript valid from 2025-05-13
