III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For B- (Boron 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 | -0.000230 | -0.001120 | -0.001120 | -0.001119 | -0.003933 | -0.003933 | -0.003951 | -0.016592 | -0.016592 | -0.003236 | -0.001067 | -0.007449 | -0.021579 | -0.001110 | -0.007822 | -0.021565 |
MP3=FULL | -0.004020 | -0.060919 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.003993 | -0.000943 | -0.007597 | -0.023042 | -0.000969 | -0.007966 | -0.022980 | |||||||||
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 |