III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -139.5867809 |
correlated core | -139.6415982 |
difference | -0.0548173 |
Energy (hartrees) | |
---|---|
frozen core | -139.5867811 |
correlated core | -139.6415982 |
difference | -0.0548172 |
Energy (hartrees) | |
---|---|
frozen core | -139.5867809 |
correlated core | -139.6415985 |
difference | -0.0548176 |
Energy (hartrees) | |
---|---|
frozen core | -139.5867811 |
correlated core | -139.6415985 |
difference | -0.0548174 |