III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For CCH2 (vinylidene)
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ | aug-cc-pVDZ | aug-cc-pVTZ | cc-pV(T+d)Z | cc-pCVDZ | cc-pCVTZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000746 | -0.003137 | -0.003137 | -0.002473 | -0.008820 | -0.009170 | -0.009361 | -0.036323 | -0.036598 | -0.012113 | -0.004327 | -0.027357 | -0.004796 | -0.032530 | -0.027357 | -0.069855 | -0.094471 |
MP3=FULL | -0.017666 | |||||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.008676 | -0.003972 | -0.028107 | -0.004437 | -0.028107 | -0.073969 | -0.098701 | ||||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ | aug-cc-pVDZ | aug-cc-pVTZ | cc-pV(T+d)Z | cc-pCVDZ | cc-pCVTZ |