III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.7821855 |
correlated core | -459.7882969 |
difference | -0.0061114 |
Energy (hartrees) | |
---|---|
frozen core | -459.7821855 |
correlated core | -459.7882969 |
difference | -0.0061114 |
Energy (hartrees) | |
---|---|
frozen core | -459.7821855 |
correlated core | -459.7882969 |
difference | -0.0061114 |
Energy (hartrees) | |
---|---|
frozen core | -459.7821855 |
correlated core | -459.7882969 |
difference | -0.0061114 |