III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For (Hydrocarboxyl radical)Energy (hartrees) | |
---|---|
frozen core | -319.4161053 |
correlated core | -319.5052663 |
difference | -0.0891609 |
Energy (hartrees) | |
---|---|
frozen core | -319.4161053 |
correlated core | -319.5052663 |
difference | -0.0891609 |
Energy (hartrees) | |
---|---|
frozen core | -319.4161053 |
correlated core | -319.5052663 |
difference | -0.0891609 |
Energy (hartrees) | |
---|---|
frozen core | -319.4161053 |
correlated core | -319.5052663 |
difference | -0.0891609 |