III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4763816 |
correlated core | -152.4820686 |
difference | -0.0056870 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763815 |
correlated core | -152.4820686 |
difference | -0.0056870 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763816 |
correlated core | -152.4820686 |
difference | -0.0056870 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763816 |
correlated core | -152.4820686 |
difference | -0.0056870 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763816 |
correlated core | -152.4820684 |
difference | -0.0056868 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763815 |
correlated core | -152.4820684 |
difference | -0.0056869 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763816 |
correlated core | -152.4820684 |
difference | -0.0056868 |
Energy (hartrees) | |
---|---|
frozen core | -152.4763816 |
correlated core | -152.4820684 |
difference | -0.0056868 |