III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For (2-Chloroethanol)Energy (hartrees) | |
---|---|
frozen core | -398.2123953 |
correlated core | -398.2199146 |
difference | -0.0075193 |
Energy (hartrees) | |
---|---|
frozen core | -398.2123953 |
correlated core | -398.2199145 |
difference | -0.0075191 |
Energy (hartrees) | |
---|---|
frozen core | -398.2123953 |
correlated core | -398.2199146 |
difference | -0.0075193 |
Energy (hartrees) | |
---|---|
frozen core | -398.2123953 |
correlated core | -398.2199145 |
difference | -0.0075191 |