III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -236.9340837 |
correlated core | -236.9754970 |
difference | -0.0414133 |
Energy (hartrees) | |
---|---|
frozen core | -236.9340833 |
correlated core | -236.9754970 |
difference | -0.0414136 |
Energy (hartrees) | |
---|---|
frozen core | -236.9340837 |
correlated core | -236.9754965 |
difference | -0.0414129 |
Energy (hartrees) | |
---|---|
frozen core | -236.9340833 |
correlated core | -236.9754965 |
difference | -0.0414132 |