III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For CSe- (Carbon monoselenide anion)
3-21G | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | ||
---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.004917 | -0.012581 | -0.037244 | -0.037244 | -0.038254 | -0.397159 | -0.397159 | -0.103718 | -0.010895 |
MP3=FULL | -0.034572 | -0.085604 | ||||||||
3-21G | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ |