III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For (Magnesium monofluoride)Energy (hartrees) | |
---|---|
frozen core | -82.5417255 |
correlated core | -82.5879208 |
difference | -0.0461953 |
Energy (hartrees) | |
---|---|
frozen core | -82.5417251 |
correlated core | -82.5879208 |
difference | -0.0461956 |
Energy (hartrees) | |
---|---|
frozen core | -82.5417255 |
correlated core | -82.5879208 |
difference | -0.0461954 |
Energy (hartrees) | |
---|---|
frozen core | -82.5417251 |
correlated core | -82.5879208 |
difference | -0.0461957 |