III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For CH- (methylidyne 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-pVDZ | aug-cc-pVQZ | cc-pV(T+d)Z | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000093 | -0.001380 | -0.001380 | -0.001053 | -0.003836 | -0.003948 | -0.004083 | -0.017601 | -0.017718 | -0.004251 | -0.001664 | -0.011104 | -0.025534 | 0.047805 | -0.025816 | -0.011104 |
MP3=FULL | -0.003833 | -0.051628 | |||||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.003803 | -0.026840 | -0.027116 | |||||||||||||
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-pVDZ | aug-cc-pVQZ | cc-pV(T+d)Z |