III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -92.5472912 |
correlated core | -92.5432610 |
difference | 0.0040302 |
Energy (hartrees) | |
---|---|
frozen core | -92.5364688 |
correlated core | -92.5432610 |
difference | -0.0067922 |
Energy (hartrees) | |
---|---|
frozen core | -92.5472912 |
correlated core | -92.5387725 |
difference | 0.0085187 |
Energy (hartrees) | |
---|---|
frozen core | -92.5364688 |
correlated core | -92.5387725 |
difference | -0.0023037 |