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Figure 3
Comparison between the CCSD electron densities and the RHF (black), XC-WF/0.5 (blue), XC-WF/0.7 (red), XC-WF/1.2 (green) and XC-WF/2.0 (orange) charge distributions along some selected chemical bonds of the six investigated molecules. |
IUCrJ
ISSN: 2052-2525
MATERIALS | COMPUTATION
Open
access
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