III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Ar- (Argon atom anion)
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 | -0.003341 | -0.010805 | -0.002149 | -0.009319 | -0.009319 | -0.009636 | -0.053405 | -0.053405 | -0.019390 | -0.005052 | -0.032067 | -0.064067 | -0.006286 | -0.033252 | -0.064610 |
MP3=FULL | -0.008213 | -0.463059 | ||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.008359 | -0.002994 | -0.030365 | -0.062057 | -0.005541 | -0.031626 | -0.062671 | ||||||||
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 |