III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For (1H-Azirine)Energy (hartrees) | |
---|---|
frozen core | -74.8941316 |
correlated core | -74.8958841 |
difference | -0.0017525 |
Energy (hartrees) | |
---|---|
frozen core | -74.8941316 |
correlated core | -74.8958841 |
difference | -0.0017525 |
Energy (hartrees) | |
---|---|
frozen core | -74.8941316 |
correlated core | -74.8958841 |
difference | -0.0017525 |
Energy (hartrees) | |
---|---|
frozen core | -74.8941316 |
correlated core | -74.8958841 |
difference | -0.0017525 |