III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Mg- (Magnesium atom anion)
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-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.014816 | -0.003879 | -0.006687 | -0.002874 | -0.006280 | -0.006280 | -0.006825 | -0.128254 | -0.128254 | -0.008067 | -0.003486 | -0.017857 | -0.029611 | -0.003758 | -0.019237 | -0.030237 |
MP3=FULL | -0.006228 | -0.025331 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.006352 | -0.003459 | -0.018621 | -0.031222 | -0.003720 | -0.019996 | -0.031774 | |||||||||
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-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ |