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. 2017 Jul 5;136(7):86. doi: 10.1007/s00214-017-2113-z

Fig. 2.

Fig. 2

Energy profiles of two candidate energy contributions, A and B, each of which strives to “mimic” the total energy profile as best as possible. It is observed that RMSE(A, total) ≪ RMSE(B, total). However, the profile of B captures better the overall (broad) behaviour of the total curve in that both B and the total energy are wells, while A is not