III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For BO- (boron monoxide anion)
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 | cc-pVQZ | aug-cc-pVTZ | aug-cc-pVQZ | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000530 | -0.003053 | -0.003053 | -0.002297 | -0.007377 | -0.007377 | -0.007776 | -0.035807 | -0.035807 | -0.013067 | -0.003720 | -0.023693 | -0.053613 | -0.028113 | -0.054425 | -0.023693 |
MP3=FULL | -0.007235 | -0.051396 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.056120 | -0.056980 | ||||||||||||||
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 | cc-pVQZ | aug-cc-pVTZ | aug-cc-pVQZ | cc-pV(T+d)Z |