Table 4. Statistics on the Error of Excitation Energies (in eV) for Local States (CT Character below 0.5) Relative to CCSDT-3 Reference Valuesa.
meanb | SDc | min | max | |
---|---|---|---|---|
ADC(2) | 0.01 | 0.16 | –0.29 | 0.26 |
CC2 | 0.05 | 0.14 | –0.19 | 0.33 |
CCSD(2) | 0.14 | 0.19 | –0.33 | 0.36 |
CCSD | 0.10 | 0.08 | –0.24 | 0.30 |
STEOM-CCSD | –0.12 | 0.11 | –0.38 | 0.10 |
CCSD(T)(a)* | −0.01 | 0.05 | –0.24 | 0.05 |
CC3 | –0.04 | 0.04 | –0.13 | 0.12 |
The number of states included is 41 for all methods.
Mean error with respect to CCSDT-3.
Standard deviation of the error to CCSDT-3.