III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -322.7955447 |
correlated core | -322.9074321 |
difference | -0.1118875 |
Energy (hartrees) | |
---|---|
frozen core | -322.7955447 |
correlated core | -322.9074321 |
difference | -0.1118875 |
Energy (hartrees) | |
---|---|
frozen core | -322.7978706 |
correlated core | -322.9097628 |
difference | -0.1118921 |
Energy (hartrees) | |
---|---|
frozen core | -322.7978706 |
correlated core | -322.9097628 |
difference | -0.1118921 |