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Figure 4
Values of the RSR similarity indexes between the CCSD electron densities and the XC-WF charge distributions as a function of the external multiplier λJ for all the examined molecules. The yellow, green, red, magenta, blue and black curves correspond to XC-WF calculations performed with structure factor amplitudes up to a resolution of 2.0, 1.5, 1.2, 0.9, 0.7 and 0.5 Å−1, respectively.

Volume 4| Part 2| March 2017| Pages 136-146
ISSN: 2052-2525