III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pVTZ
For (Hydrogen methyl disulfide)Energy (hartrees) | |
---|---|
frozen core | -113.7942194 |
correlated core | -113.8331855 |
difference | -0.0389661 |
Energy (hartrees) | |
---|---|
frozen core | -113.7942194 |
correlated core | -113.8331855 |
difference | -0.0389661 |