III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -89.8861533 |
correlated core | -89.9491703 |
difference | -0.0630170 |
Energy (hartrees) | |
---|---|
frozen core | -89.8861530 |
correlated core | -89.9491703 |
difference | -0.0630173 |
Energy (hartrees) | |
---|---|
frozen core | -89.8861533 |
correlated core | -89.9491707 |
difference | -0.0630174 |
Energy (hartrees) | |
---|---|
frozen core | -89.8861530 |
correlated core | -89.9491707 |
difference | -0.0630177 |