III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Be2- (Beryllium diatomic 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-pVTZ | aug-cc-pVQZ | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000962 | -0.001883 | -0.001883 | -0.002023 | -0.006923 | -0.006923 | -0.006999 | -0.030136 | -0.030136 | -0.006206 | -0.001801 | -0.016983 | -0.040743 | -0.019904 | -0.041106 | -0.016983 |
MP3=FULL | -0.007113 | -0.037356 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.044668 | -0.045018 | ||||||||||||||
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-pVTZ | aug-cc-pVQZ | cc-pV(T+d)Z |