III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For CH+ (Methylidyne 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-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVQZ | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000338 | -0.001531 | -0.001531 | -0.001208 | -0.003526 | -0.003656 | -0.003762 | -0.017280 | -0.017403 | -0.003878 | -0.001588 | -0.010530 | -0.024617 | -0.001719 | -0.024909 | -0.010530 |
MP3=FULL | -0.003463 | -0.004603 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.003379 | -0.025667 | -0.025978 | |||||||||||||
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-pVQZ | cc-pV(T+d)Z |