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. 2014 Jun 30;10(9):3745–3756. doi: 10.1021/ct500490b

Figure 1.

Figure 1

Density ρ(r) (blue) and γ(r) (purple) for the H2 promolecule at the internuclear separation of (a) 1.4 au, (b) 10 au, (c) 10 au (close-up on low density values). Densities of two constituting hydrogen atoms are in green.