III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.0396396 |
correlated core | -152.0464602 |
difference | -0.0068207 |
Energy (hartrees) | |
---|---|
frozen core | -152.0396397 |
correlated core | -152.0464602 |
difference | -0.0068206 |
Energy (hartrees) | |
---|---|
frozen core | -152.0396396 |
correlated core | -152.0464603 |
difference | -0.0068207 |
Energy (hartrees) | |
---|---|
frozen core | -152.0396397 |
correlated core | -152.0464603 |
difference | -0.0068207 |