III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For SiH3- (Silyl 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-pVTZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.002803 | -0.005618 | -0.012280 | -0.003632 | -0.009979 | -0.010754 | -0.011816 | -0.123800 | -0.124431 | -0.018984 | -0.006792 | -0.057872 | -0.046295 | -0.062562 |
MP3=FULL | -0.009694 | -0.023085 | |||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.009818 | |||||||||||||
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-pVTZ |