III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -399.0836042 |
correlated core | -399.2490540 |
difference | -0.1654498 |
Energy (hartrees) | |
---|---|
frozen core | -399.0836042 |
correlated core | -399.2490540 |
difference | -0.1654498 |
Energy (hartrees) | |
---|---|
frozen core | -399.0836042 |
correlated core | -399.2490540 |
difference | -0.1654498 |
Energy (hartrees) | |
---|---|
frozen core | -399.0836042 |
correlated core | -399.2490540 |
difference | -0.1654498 |