III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For ClOO+ (chloroperoxy cation)
STO-3G | 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 | -0.000338 | -0.008057 | -0.004859 | -0.015315 | -0.015315 | -0.016549 | -0.086468 | -0.086468 | -0.034877 | -0.010161 | -0.058646 |
MP3=FULL | -0.013990 | -0.022485 | ||||||||||
STO-3G | 3-21G | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ |