III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.1237558 |
correlated core | -225.1299886 |
difference | -0.0062328 |
Energy (hartrees) | |
---|---|
frozen core | -225.1237558 |
correlated core | -225.1325936 |
difference | -0.0088378 |
Energy (hartrees) | |
---|---|
frozen core | -225.1264116 |
correlated core | -225.1299886 |
difference | -0.0035770 |
Energy (hartrees) | |
---|---|
frozen core | -225.1264116 |
correlated core | -225.1325936 |
difference | -0.0061820 |
Energy (hartrees) | |
---|---|
frozen core | -225.1237559 |
correlated core | -225.1299884 |
difference | -0.0062326 |