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| OBS family | source | training method | D | T | Q | 5 | 6 | 7 |
|---|---|---|---|---|---|---|---|---|
| aXZ | ref | MP2-F12 | 1.1 | 1.2 | 1.4 | 1.4 | – | – |
| ref | MP2-F12 | 1.0 | 1.2 | 1.4 | 1.5 | – | – | |
| this work | MP2-F12 | 0.96 | 1.21 | 1.46 | 1.49 | 1.51 | – | |
| this work | CCSD-F12 | 1.12 | 1.61 | 2.16 | 2.57 | 2.98 | 3.85 | |
| XZ-F12 | ref | MP2-F12 | 0.9 | 1.0 | 1.1 | – | – | – |
| ref | MP2-F12 | 0.9 | 1.0 | 1.0 | 1.2 | – | – | |
| this work | MP2-F12 | 0.84 | 0.93 | 0.92 | 1.02 | – | – | |
| this work | CCSD-F12 | 1.06 | 1.52 | 1.95 | 2.31 | – | – |
Obtained in ref using the optimization method of ref .
