III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Na- (Sodium atom 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-pVTZ | aug-cc-pVQZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.042675 | -0.001102 | -0.001792 | -0.001571 | -0.002547 | -0.002547 | -0.002513 | -0.132062 | -0.132062 | -0.009215 | -0.001281 | -0.011107 | -0.011295 | -0.001414 | -0.011278 | -0.011380 |
MP3=FULL | -0.002515 | -0.008755 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.002534 | -0.001251 | -0.012001 | -0.012334 | -0.001405 | -0.012289 | -0.012462 | |||||||||
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-pVTZ | aug-cc-pVQZ |