III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For SiH2 (silicon dihydride)
3-21G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | TZVP | cc-pVDZ | cc-pVTZ | aug-cc-pVDZ | cc-pV(T+d)Z | aug-cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.005644 | -0.010060 | -0.010582 | -0.011721 | -0.123986 | -0.124424 | -0.006331 | -0.007660 | -0.108651 | -0.111127 | ||
MP3=FULL | -0.009834 | -0.013316 | -0.032932 | -0.006056 | -0.056172 | -0.109031 | -0.111511 | ||||||
MP4=FULL | -0.110861 | -0.113352 | |||||||||||
Coupled Cluster | CCSD=FULL | -0.009625 | -0.005892 | -0.056006 | -0.108543 | -0.111020 | |||||||
CCSD(T)=FULL | -0.009883 | -0.006110 | -0.057250 | -0.110484 | -0.112969 | ||||||||
3-21G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | TZVP | cc-pVDZ | cc-pVTZ | aug-cc-pVDZ | cc-pV(T+d)Z | aug-cc-pV(T+d)Z |