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. 2020 Jun 19;16(8):4983–4992. doi: 10.1021/acs.jctc.0c00328

Figure 1.

Figure 1

Absolute relative errors (in %) of the atomization energies (AE) versus the ones of the correlation energies, for a set of 27 small molecules BeH, OH, NH2, NH, NO, PH2, O2, S2, SiH2, C2H5, CH2, CH3, CN, COH, CH4, LiF, Li2, F2, CO, CH2, H2, CS, LiH, N2, P2, NaCl, and H2O. For the worst cases F2 and P2, GL2 fails badly for atomization energies, with errors of 188 and 73%, respectively.