Supporting Data: "Improving coupled cluster theory for strongly correlated molecules with Kohn-Sham density encoding"

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Zamani, Abdulrahman, Zulueta, Barbaro, Ricciuti, Andrew, Keith, John, Carter-Fenk, Kevin
DOI: 10.5281/zenodo.17958091
Cited by: 0

Abstract

ORCA 6.0 output files of the M-H+, M-H, M-O, M-Cl, and M-M dimers and the Cr2 potential energy surface. Only KS-DFT and CCSD(T)/CBS calculations are present.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
1 January 2026
Document type
Dataset