III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -496.1716485 |
correlated core | -496.1775014 |
difference | -0.0058529 |
Energy (hartrees) | |
---|---|
frozen core | -496.1716485 |
correlated core | -496.1775014 |
difference | -0.0058529 |
Energy (hartrees) | |
---|---|
frozen core | -496.1716485 |
correlated core | -496.1775014 |
difference | -0.0058529 |
Energy (hartrees) | |
---|---|
frozen core | -496.1716485 |
correlated core | -496.1775014 |
difference | -0.0058529 |
Energy (hartrees) | |
---|---|
frozen core | -496.1712826 |
correlated core | -496.1771439 |
difference | -0.0058613 |