III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For NaK (Sodium 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 | -0.056107 | -0.002280 | -0.005079 | -0.001647 | -0.002731 | -0.002731 | -0.002829 | -0.239309 | -0.239309 | -0.010654 | -0.107694 |
MP3=FULL | -0.002690 | -0.003049 | ||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.002783 | -0.114133 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP |