III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8167946 |
correlated core | -398.9369805 |
difference | -0.1201858 |
Energy (hartrees) | |
---|---|
frozen core | -398.8167946 |
correlated core | -398.9369805 |
difference | -0.1201858 |
Energy (hartrees) | |
---|---|
frozen core | -398.8167947 |
correlated core | -398.9369805 |
difference | -0.1201858 |
Energy (hartrees) | |
---|---|
frozen core | -398.8167946 |
correlated core | -398.9369805 |
difference | -0.1201858 |
Energy (hartrees) | |
---|---|
frozen core | -398.8167946 |
correlated core | -398.9369805 |
difference | -0.1201858 |
Energy (hartrees) | |
---|---|
frozen core | -398.8167947 |
correlated core | -398.9369805 |
difference | -0.1201858 |