III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For NH- (Imidogen 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 | aug-cc-pVDZ | aug-cc-pVQZ | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000069 | -0.001609 | -0.001609 | -0.001018 | -0.002779 | -0.002907 | -0.003069 | -0.018221 | -0.018354 | -0.006848 | -0.001967 | -0.011918 | -0.028199 | -0.002098 | -0.028364 | -0.011918 |
MP3=FULL | -0.002628 | -0.058564 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.029262 | -0.029443 | ||||||||||||||
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 |