Data related to "Frozen-Density Embedding for including environmental effects in the Dirac-Kohn-Sham theory: an implementation based on density fitting and prototyping techniques"
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下载链接：
https://zenodo.org/record/6343893
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资源简介：
Geometries and data of several gold clusters embedded using an increasing number (5, 10, 20, 40 and 80) of water molecules.
创建时间：
2023-04-12
