III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8418038 |
correlated core | -399.0539299 |
difference | -0.2121261 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418038 |
correlated core | -399.0539299 |
difference | -0.2121261 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418036 |
correlated core | -399.0539299 |
difference | -0.2121263 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418038 |
correlated core | -399.0539299 |
difference | -0.2121261 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418038 |
correlated core | -399.0539299 |
difference | -0.2121261 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418036 |
correlated core | -399.0539299 |
difference | -0.2121263 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418038 |
correlated core | -399.0539296 |
difference | -0.2121259 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418038 |
correlated core | -399.0539296 |
difference | -0.2121259 |
Energy (hartrees) | |
---|---|
frozen core | -398.8418036 |
correlated core | -399.0539296 |
difference | -0.2121260 |