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. 2023 Aug 30;620(7976):965–970. doi: 10.1038/s41586-023-06352-6

Extended Data Fig. 5. Cross-validation of emulators.

Extended Data Fig. 5

Upper-left panel, total energies of 24O computed with the coupled-cluster method in the CCSDT-3 approximation versus the SP-CC emulator for a validation set of 100 parameter samples. Upper-right panel, distribution of residuals in percent. Lower-left panel, 2+ excitation energies of 24O computed with the coupled-cluster method in the EOM-CCSDT-3 approximation versus the SP-CC emulator for a validation set of 40 parameter samples. Lower-right panel, distribution of residuals in percent.