III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For BH3- (boron trihydride 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-pVQZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000498 | -0.001178 | -0.001178 | -0.001201 | -0.004499 | -0.004883 | -0.004885 | -0.017166 | -0.017275 | -0.004864 | -0.001869 | -0.012800 | -0.025395 | -0.025704 |
MP3=FULL | -0.004617 | -0.039056 | |||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.004637 | |||||||||||||
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-pVQZ |