III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For LiK (Lithium Potassium)
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.014810 | -0.001465 | -0.003444 | -0.000370 | -0.000727 | -0.000727 | -0.000785 | -0.120133 | -0.120133 | -0.002977 | -0.045013 |
MP3=FULL | -0.000695 | -0.001016 | ||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.000703 | -0.050807 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP |