III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For CH2CHO (Vinyloxy radical)
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 | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000833 | -0.004972 | -0.004972 | -0.003546 | -0.012002 | -0.012509 | -0.012944 | -0.055554 | -0.055979 | -0.021582 | -0.006942 | -0.043330 | |
MP3=FULL | -0.011721 | -0.023281 | ||||||||||||
Coupled Cluster | CCSD(T)=FULL | 2.222614 | -0.007477 | |||||||||||
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 |