III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Cu+ (Copper 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 | -0.016853 | -0.065187 | -0.065187 | -0.070331 | -0.074590 | -0.074590 | -0.148749 | -0.436589 | -0.436589 | -0.110751 |
MP3=FULL | -0.050865 | -0.214513 | |||||||||
Coupled Cluster | CCSD(T)=FULL | -0.062677 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |