III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -558.7128184 |
correlated core | -558.7208566 |
difference | -0.0080383 |
Energy (hartrees) | |
---|---|
frozen core | -558.7128184 |
correlated core | -558.7208566 |
difference | -0.0080383 |
Energy (hartrees) | |
---|---|
frozen core | -558.7128184 |
correlated core | -558.7208566 |
difference | -0.0080383 |
Energy (hartrees) | |
---|---|
frozen core | -558.7128184 |
correlated core | -558.7208566 |
difference | -0.0080383 |