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. Author manuscript; available in PMC: 2018 Feb 7.
Published in final edited form as: J Chem Phys. 2017 Feb 7;146(5):054304. doi: 10.1063/1.4974993

Table III.

The values of RMSE calculated for several intervals of interaction energy for the 〈V15〉0 surface with respect to the set of the ab initio vibrationally averaged interaction energies used to fit the V12 surface.16,17 For comparison, the values of RMSE calculated for V12 are also given. All energies are in cm−1 and distances in bohr.

range 〈V15〉0 V12
(0, 1000) 0.935 2.320
(0, 400) 0.394 0.156
(−∞, 0) 0.145 0.077
(−∞, 400) 0.193 0.090
(−∞, 1000) 0.373 0.865