III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.0186765 |
correlated core | -152.0306776 |
difference | -0.0120011 |
Energy (hartrees) | |
---|---|
frozen core | -152.0186764 |
correlated core | -152.0306776 |
difference | -0.0120012 |
Energy (hartrees) | |
---|---|
frozen core | -152.0186765 |
correlated core | -152.0306775 |
difference | -0.0120010 |
Energy (hartrees) | |
---|---|
frozen core | -152.0186764 |
correlated core | -152.0306775 |
difference | -0.0120012 |