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 anion)
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 | -0.064713 | -0.064713 | -0.070482 | -0.075022 | -0.075022 | -0.150963 | -0.437662 | -0.437662 | -0.111691 |
MP3=FULL | -0.050717 | -0.270803 | ||||||||
Coupled Cluster | CCSD(T)=FULL | -0.062578 | ||||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |