III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For (Lithium magnesium)Energy (hartrees) | |
---|---|
frozen core | -82.5240108 |
correlated core | -82.5508977 |
difference | -0.0268870 |
Energy (hartrees) | |
---|---|
frozen core | -82.5240108 |
correlated core | -82.5508977 |
difference | -0.0268870 |
Energy (hartrees) | |
---|---|
frozen core | -82.5240106 |
correlated core | -82.5508977 |
difference | -0.0268872 |