III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -74.9787546 |
correlated core | -74.9805142 |
difference | -0.0017597 |
Energy (hartrees) | |
---|---|
frozen core | -74.9787546 |
correlated core | -74.9805141 |
difference | -0.0017595 |
Energy (hartrees) | |
---|---|
frozen core | -74.9787545 |
correlated core | -74.9805142 |
difference | -0.0017598 |
Energy (hartrees) | |
---|---|
frozen core | -74.9787545 |
correlated core | -74.9805141 |
difference | -0.0017597 |