III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For (1-Butene, 2-methyl-)Energy (hartrees) | |
---|---|
frozen core | -111.5369177 |
correlated core | -111.5418125 |
difference | -0.0048948 |
Energy (hartrees) | |
---|---|
frozen core | -111.5369177 |
correlated core | -111.5418125 |
difference | -0.0048948 |
Energy (hartrees) | |
---|---|
frozen core | -111.5369177 |
correlated core | -111.5418125 |
difference | -0.0048948 |
Energy (hartrees) | |
---|---|
frozen core | -111.5369177 |
correlated core | -111.5418125 |
difference | -0.0048948 |