III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -289.5690684 |
correlated core | -289.6121428 |
difference | -0.0430744 |
Energy (hartrees) | |
---|---|
frozen core | -289.5690685 |
correlated core | -289.6121428 |
difference | -0.0430744 |
Energy (hartrees) | |
---|---|
frozen core | -289.5690684 |
correlated core | -289.6121424 |
difference | -0.0430740 |
Energy (hartrees) | |
---|---|
frozen core | -289.5690685 |
correlated core | -289.6121424 |
difference | -0.0430739 |