III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -115.4826131 |
correlated core | -115.4875341 |
difference | -0.0049210 |
Energy (hartrees) | |
---|---|
frozen core | -115.4826132 |
correlated core | -115.4875341 |
difference | -0.0049209 |
Energy (hartrees) | |
---|---|
frozen core | -115.4826131 |
correlated core | -115.4875341 |
difference | -0.0049210 |
Energy (hartrees) | |
---|---|
frozen core | -115.4826132 |
correlated core | -115.4875341 |
difference | -0.0049209 |