III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -578.8983872 |
correlated core | -578.9060335 |
difference | -0.0076464 |
Energy (hartrees) | |
---|---|
frozen core | -578.9305866 |
correlated core | -578.9381975 |
difference | -0.0076109 |
Energy (hartrees) | |
---|---|
frozen core | -578.9269335 |
correlated core | -578.9345299 |
difference | -0.0075964 |
Energy (hartrees) | |
---|---|
frozen core | -578.9271179 |
correlated core | -578.9347510 |
difference | -0.0076331 |