III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pV(Q+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9258565 |
correlated core | -399.0516498 |
difference | -0.1257933 |
Energy (hartrees) | |
---|---|
frozen core | -398.9258565 |
correlated core | -399.0516498 |
difference | -0.1257933 |
Energy (hartrees) | |
---|---|
frozen core | -398.9258565 |
correlated core | -399.0516498 |
difference | -0.1257933 |
Energy (hartrees) | |
---|---|
frozen core | -398.9258565 |
correlated core | -399.0516498 |
difference | -0.1257933 |