Water Cluster Electron Density Database
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This database contains electron densities represented in the def2-universal-JFIT atom centered basis for select members of the Database of Water Cluster Minima from Rakshit and co-workers. All densities are projected from the one particle reduced density matrix with the total number of electrons constrained to the correct number. See attached description for details.
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Zenodo创建时间：
2021-10-12
