III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For BF- (Boron monofluoride 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-pVQZ | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000354 | -0.003071 | -0.003071 | -0.002253 | -0.006592 | -0.006592 | -0.007153 | -0.035668 | -0.035668 | -0.009612 | -0.003487 | -0.022331 | -0.054110 | -0.054997 | -0.022331 |
MP3=FULL | -0.006458 | -0.077966 | ||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.056288 | -0.057170 | |||||||||||||
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-pVQZ | cc-pV(T+d)Z |