III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For SeO+ (selenium monoxide cation)
STO-3G | 3-21G | 3-21G* | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ | ||
---|---|---|---|---|---|---|---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.000299 | -0.005449 | -0.012132 | -0.034771 | -0.034771 | -0.036130 | -0.394151 | -0.394151 | -0.104212 | -0.011351 | -0.060802 |
MP3=FULL | -0.032995 | -0.061441 | ||||||||||
STO-3G | 3-21G | 3-21G* | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ |