III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -531.9733733 |
correlated core | -531.9868923 |
difference | -0.0135190 |
Energy (hartrees) | |
---|---|
frozen core | -531.9733733 |
correlated core | -531.9868923 |
difference | -0.0135190 |
Energy (hartrees) | |
---|---|
frozen core | -531.9733733 |
correlated core | -531.9868923 |
difference | -0.0135190 |