III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For SiF- (silicon monofluoride 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 | -0.001365 | -0.007659 | -0.014547 | -0.004835 | -0.012911 | -0.012911 | -0.014452 | -0.142876 | -0.142876 | -0.025665 | -0.049772 | -0.008049 | -0.067403 | -0.073808 | -0.009329 | -0.070846 | -0.075767 |
MP3=FULL | -0.012498 | -0.052054 | ||||||||||||||||
MP4=FULL | -0.007344 | -0.012675 | -0.143505 | -0.007666 | -0.068444 | -0.008987 | -0.071927 | |||||||||||
Coupled Cluster | CCSD=FULL | -0.012374 | -0.050019 | -0.007457 | -0.067128 | -0.074515 | -0.008731 | -0.070600 | -0.076422 | |||||||||
CCSD(T)=FULL | -0.012626 | -0.050699 | -0.007642 | -0.068312 | -0.075705 | -0.008958 | -0.071804 | -0.077646 | ||||||||||
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 |