III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For (Sulfur dioxide)Energy (hartrees) | |
---|---|
frozen core | -82.4650151 |
correlated core | -82.4968480 |
difference | -0.0318328 |
Energy (hartrees) | |
---|---|
frozen core | -82.4650151 |
correlated core | -82.4968480 |
difference | -0.0318328 |
Energy (hartrees) | |
---|---|
frozen core | -82.4650151 |
correlated core | -82.4968480 |
difference | -0.0318328 |
Energy (hartrees) | |
---|---|
frozen core | -82.4650151 |
correlated core | -82.4968480 |
difference | -0.0318328 |