III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.3750830 |
correlated core | -113.4022413 |
difference | -0.0271583 |
Energy (hartrees) | |
---|---|
frozen core | -113.3750830 |
correlated core | -113.4022413 |
difference | -0.0271583 |
Energy (hartrees) | |
---|---|
frozen core | -113.3750829 |
correlated core | -113.4022413 |
difference | -0.0271584 |
Energy (hartrees) | |
---|---|
frozen core | -113.3750829 |
correlated core | -113.4022413 |
difference | -0.0271584 |