III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For NaF- (sodium fluoride anion)
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 | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.039364 | -0.003879 | -0.005519 | -0.003101 | -0.005565 | -0.005565 | -0.006306 | -0.151047 | -0.151047 | -0.016942 | -0.004770 | -0.025343 | -0.044606 | -0.025343 |
MP3=FULL | -0.005324 | -0.043648 | |||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.046756 | |||||||||||||
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 | cc-pV(T+d)Z |