III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0524698 |
correlated core | -39.0653047 |
difference | -0.0128348 |
Energy (hartrees) | |
---|---|
frozen core | -39.0524698 |
correlated core | -39.0653047 |
difference | -0.0128349 |
Energy (hartrees) | |
---|---|
frozen core | -39.0524698 |
correlated core | -39.0653047 |
difference | -0.0128349 |
Energy (hartrees) | |
---|---|
frozen core | -39.0524698 |
correlated core | -39.0653047 |
difference | -0.0128349 |