III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -321.3184518 |
correlated core | -321.3253505 |
difference | -0.0068987 |
Energy (hartrees) | |
---|---|
frozen core | -321.3247698 |
correlated core | -321.3316144 |
difference | -0.0068447 |
Energy (hartrees) | |
---|---|
frozen core | -321.3386826 |
correlated core | -321.3454250 |
difference | -0.0067424 |