III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -383.3482751 |
correlated core | -383.3496396 |
difference | -0.0013646 |
Energy (hartrees) | |
---|---|
frozen core | -383.3482751 |
correlated core | -383.3496396 |
difference | -0.0013645 |
Energy (hartrees) | |
---|---|
frozen core | -383.3482751 |
correlated core | -383.3496396 |
difference | -0.0013646 |
Energy (hartrees) | |
---|---|
frozen core | -383.3482751 |
correlated core | -383.3496396 |
difference | -0.0013645 |