III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Si2+ (silcon diatomic cation)
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 | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.005324 | -0.011672 | -0.025888 | -0.007540 | -0.021233 | -0.021233 | -0.023440 | -0.248993 | -0.248993 | -0.038536 | -0.011550 | -0.109955 | -0.086250 | -0.087502 |
MP3=FULL | 0.005604 | -0.052104 | |||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.020700 | |||||||||||||
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 |