Dataset for alchemical transmutation on 14 electron diatomics
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下载链接：
https://zenodo.org/record/3959315
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资源简介：
As a SI to the paper "Effects of perturbation order and basis set on alchemical predictions" we publish the database for APDFT prediction within the 14 electron diatomic molecules series. The data were calculated for 8 different basis set.
创建时间：
2020-07-28
