III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For Al2- (aluminum diatomic 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 | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.012212 | -0.009104 | -0.020755 | -0.006758 | -0.018551 | -0.018551 | -0.021045 | -0.250685 | -0.250685 | -0.031736 | -0.009710 | -0.128066 |
MP3=FULL | -0.018143 | -0.027210 | |||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.018303 | |||||||||||
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 |