III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For O- (Oxygen 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 | 0.000000 | -0.001702 | -0.001702 | -0.000929 | -0.002113 | -0.002113 | -0.002352 | -0.018348 | -0.018348 | -0.006279 | -0.001901 | -0.011323 | -0.029125 | -0.001982 | -0.011683 | -0.029135 |
MP3=FULL | -0.001926 | -0.064994 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.001923 | -0.001720 | -0.011227 | -0.029910 | -0.001794 | -0.011576 | -0.029885 | |||||||||
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 |