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. 2020 Jun 5;16(7):4213–4225. doi: 10.1021/acs.jctc.0c00154

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
a

The number of states included is 41 for all methods.

b

Mean error with respect to CCSDT-3.

c

Standard deviation of the error to CCSDT-3.