III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4053555 |
correlated core | -152.4102729 |
difference | -0.0049174 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053553 |
correlated core | -152.4102729 |
difference | -0.0049176 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053554 |
correlated core | -152.4102729 |
difference | -0.0049175 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053554 |
correlated core | -152.4102729 |
difference | -0.0049175 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053555 |
correlated core | -152.4102729 |
difference | -0.0049174 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053553 |
correlated core | -152.4102729 |
difference | -0.0049176 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053554 |
correlated core | -152.4102729 |
difference | -0.0049175 |
Energy (hartrees) | |
---|---|
frozen core | -152.4053554 |
correlated core | -152.4102729 |
difference | -0.0049175 |