III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4827559 |
correlated core | -152.5202771 |
difference | -0.0375212 |
Energy (hartrees) | |
---|---|
frozen core | -152.4827558 |
correlated core | -152.5202771 |
difference | -0.0375214 |
Energy (hartrees) | |
---|---|
frozen core | -152.4827559 |
correlated core | -152.5202748 |
difference | -0.0375188 |
Energy (hartrees) | |
---|---|
frozen core | -152.4827558 |
correlated core | -152.5202748 |
difference | -0.0375190 |