III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For SiO+ (silicon monoxide cation)
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVTZ | cc-pVQZ | aug-cc-pVQZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.002925 | -0.007784 | -0.015163 | -0.005036 | -0.013828 | -0.013827 | -0.015332 | -0.143088 | -0.143088 | -0.029428 | -0.067876 | -0.074629 | -0.076925 |
MP3=FULL | -0.013446 | -0.019022 | ||||||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVTZ | cc-pVQZ | aug-cc-pVQZ |