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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 1.

Figure 1

The γ-function (solid line) plotted for the hydrogen-hydrogen interaction deviates from 1/r (dashed line) at short distances and yields the value of the Hubbard parameter UH = 0.4195 a.u. at r = 0 a.u..