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Figure 6
Representative isosurfaces of the difference density maps for the nitrogen molecule, using the CCSD charge distribution as reference. The chosen isovalue is always 0.008 e bohr−3, except for the CCSD–CISD difference density, for which the isovalue has been set equal to 0.002 e bohr−3. Positive and negative isosurfaces are depicted in red and blue, respectively.

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