III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -397.8340700 |
correlated core | -397.9539997 |
difference | -0.1199298 |
Energy (hartrees) | |
---|---|
frozen core | -397.8340699 |
correlated core | -397.9539997 |
difference | -0.1199299 |
Energy (hartrees) | |
---|---|
frozen core | -397.8340700 |
correlated core | -397.9539997 |
difference | -0.1199298 |
Energy (hartrees) | |
---|---|
frozen core | -397.8340699 |
correlated core | -397.9539997 |
difference | -0.1199299 |