III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -38.7618900 |
correlated core | -38.7632815 |
difference | -0.0013915 |
Energy (hartrees) | |
---|---|
frozen core | -38.7618900 |
correlated core | -38.7632815 |
difference | -0.0013915 |
Energy (hartrees) | |
---|---|
frozen core | -38.7487614 |
correlated core | -38.7501873 |
difference | -0.0014259 |