Supplement Number 1
收藏DataCite Commons2025-02-14 更新2025-03-22 收录
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https://aip.figshare.com/articles/dataset/Supplement_Number_1/28278836/1
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资源简介：
The supplementary material contains: (i) convergence with respect to HBCI thresholds; (ii) a comparison of the XC potential and its non-XC-hole component; (iii) comparison of Kohn-Sham eigenvalues from both KZG-RKS and SlaterRKS methods; and (iv) the geometries of the molecules used in this study.
提供机构：
AIP Publishing
创建时间：
2025-02-14
