III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For K+ (Potassium atom cation)
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | ||
---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.011862 | -0.000726 | -0.001339 | -0.000010 | -0.000080 | -0.000080 | -0.000084 | -0.106880 | -0.106880 | -0.000975 |
MP3=FULL | -0.000072 | -0.000186 | |||||||||
Coupled Cluster | CCSD(T)=FULL | -0.000077 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |