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. Author manuscript; available in PMC: 2013 Apr 10.
Published in final edited form as: J Chem Theory Comput. 2012 Apr 10;7(4):931–948. doi: 10.1021/ct100684s

Figure 3.

Figure 3

The γh-function plotted for the OH-pair (UO = 0.4954 a.u., UH = 0.4195 a.u.) is more repulsive than the original γ-function but still yields the same limits at r = 0 a.u. and at r → ∞.