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 cation)
6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | ||
---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.012945 | -0.059358 | -0.036839 | -0.037787 | -0.395500 | -0.395500 | -0.103199 | -0.011013 |
MP3=FULL | -0.006010 | -0.036060 | |||||||
6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ |