Published March 10, 2022
| Version v1
Dataset
Open
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"
Description
Geometries and data of several gold clusters embedded using an increasing number (5, 10, 20, 40 and 80) of water molecules.
Files
Files
(1.9 MB)
| Name | Size | Download all |
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md5:9e8e66b812de04be0f61fd3c2e2dd827
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1.9 MB | Download |
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md5:3002e46f45623324c66f59f1e0750b27
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61.4 kB | Download |