III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -89.8232675 |
correlated core | -89.8344614 |
difference | -0.0111938 |
Energy (hartrees) | |
---|---|
frozen core | -89.8232675 |
correlated core | -89.8344614 |
difference | -0.0111938 |
Energy (hartrees) | |
---|---|
frozen core | -89.8232675 |
correlated core | -89.8344613 |
difference | -0.0111937 |
Energy (hartrees) | |
---|---|
frozen core | -89.8232675 |
correlated core | -89.8344613 |
difference | -0.0111937 |