III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0063795 |
correlated core | -579.0283415 |
difference | -0.0219621 |
Energy (hartrees) | |
---|---|
frozen core | -579.0398042 |
correlated core | -579.0619322 |
difference | -0.0221279 |
Energy (hartrees) | |
---|---|
frozen core | -579.0649642 |
correlated core | -579.0875527 |
difference | -0.0225885 |
Energy (hartrees) | |
---|---|
frozen core | -579.0497923 |
correlated core | -579.0721917 |
difference | -0.0223994 |