III.G.10.a. |
Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)
For ClF- (clorine monofluoride anion)
3-21G | 3-21G* | 6-31+G** | cc-pV(T+d)Z | ||
---|---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.006103 | -0.013474 | -0.012814 | -0.116114 |
MP3=FULL | -0.057867 | ||||
3-21G | 3-21G* | 6-31+G** | cc-pV(T+d)Z |