Supporting Data: "Kohn-Sham density encoding rescues coupled cluster theory for strongly correlated molecules"
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资源简介：
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.
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Zenodo创建时间：
2025-12-17
