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. 2020 Aug 10;16(9):5685–5694. doi: 10.1021/acs.jctc.0c00580

Table 6. Absolute Kinetic Energy Error ΔT (in kcal/mol) as Well as the Integrated Absolute Error Δn of the Iteratively Found Densities on the N = 2 Test Set, Employing the ResNet on Training Sets of Increasing Size.

  T|
n| × 104
M mean std max mean std max
100 0.856 6.591 145.58 2.7 11.8 253.0
1 000 0.151 1.196 32.65 0.7 1.9 50.5
10 000 0.062 0.228 6.48 0.6 0.6 13.7
100 000 0.047 0.070 0.89 0.6 0.5 5.5