Supplemental material
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https://aip.figshare.com/articles/dataset/Supplemental_material/30878570
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Tables S1-S5 and S6-S7 present the CCSD(T) and DMC energy results, respectively. The basis set effects on HF and correlation energies at the CCSD(T)/AE level are shown in Figures S1-S2, while Figures S3-S7 show the correlation of basis set errors between HF and DMC calculations. [calculation data by CCSD(T) and DMC]
提供机构：
AIP Publishing
创建时间：
2025-12-13
