III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For KF (Potassium Fluoride)
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 | -0.003843 | -0.005419 | -0.001017 | -0.002113 | -0.002113 | -0.002481 | -0.125903 | -0.125903 | -0.005802 |
MP3=FULL | -0.001859 | -0.044214 | ||||||||
Coupled Cluster | CCSD(T)=FULL | -0.001893 | ||||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |