III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For AlH+ (aluminum monohydride cation)
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-pVQZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.006905 | -0.004338 | -0.009380 | -0.003224 | -0.008251 | -0.008405 | -0.009725 | -0.124456 | -0.124628 | -0.013277 | -0.004473 | -0.062354 | -0.035550 | -0.041307 |
MP3=FULL | -0.008344 | -0.010538 | |||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.037012 | -0.042636 | ||||||||||||
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-pVQZ |