III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For (fluorotribromomethane)Energy (hartrees) | |
---|---|
frozen core | -1900.5283143 |
correlated core | -1900.5285669 |
difference | -0.0002526 |
Energy (hartrees) | |
---|---|
frozen core | -1900.5283143 |
correlated core | -1900.5285669 |
difference | -0.0002526 |
Energy (hartrees) | |
---|---|
frozen core | -1900.5283143 |
correlated core | -1900.5285669 |
difference | -0.0002526 |
Energy (hartrees) | |
---|---|
frozen core | -1900.5283143 |
correlated core | -1900.5285669 |
difference | -0.0002526 |