III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For C5H8O (Magnesium Carbonate)Energy (hartrees) | |
---|---|
frozen core | -138.4917290 |
correlated core | -138.4951914 |
difference | -0.0034624 |
Energy (hartrees) | |
---|---|
frozen core | -138.4917289 |
correlated core | -138.4951914 |
difference | -0.0034624 |
Energy (hartrees) | |
---|---|
frozen core | -138.4917292 |
correlated core | -138.4951914 |
difference | -0.0034622 |
Energy (hartrees) | |
---|---|
frozen core | -138.4917290 |
correlated core | -138.4951917 |
difference | -0.0034627 |
Energy (hartrees) | |
---|---|
frozen core | -138.4917289 |
correlated core | -138.4951917 |
difference | -0.0034627 |
Energy (hartrees) | |
---|---|
frozen core | -138.4917292 |
correlated core | -138.4951917 |
difference | -0.0034624 |