III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For GeH2- (germylene anion)
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.001024 | -0.003380 | -0.009863 | -0.012149 | -0.030281 | -0.031441 | -0.031994 | -0.394933 | -0.396260 | -0.092871 | -0.138860 | -0.009216 | -0.060669 | -0.080792 | -0.011253 | -0.067120 | -0.086870 |
MP3=FULL | -0.028881 | -0.056509 | ||||||||||||||||
MP4=FULL | -0.003286 | -0.030902 | -0.380331 | -0.009135 | -0.059876 | -0.011185 | -0.065963 | |||||||||||
Coupled Cluster | CCSD=FULL | -0.029466 | -0.120103 | -0.008309 | -0.053290 | -0.069719 | -0.010139 | -0.058988 | -0.074709 | |||||||||
CCSD(T)=FULL | -0.030614 | -0.122311 | -0.008833 | -0.055639 | -0.072148 | -0.010761 | -0.061362 | -0.077177 | ||||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP | cc-pVDZ | cc-pVTZ | cc-pVQZ | aug-cc-pVDZ | aug-cc-pVTZ | aug-cc-pVQZ |