III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -558.6759119 |
correlated core | -558.6884868 |
difference | -0.0125749 |
Energy (hartrees) | |
---|---|
frozen core | -558.6759119 |
correlated core | -558.6884868 |
difference | -0.0125749 |
Energy (hartrees) | |
---|---|
frozen core | -558.6759119 |
correlated core | -558.6884868 |
difference | -0.0125749 |
Energy (hartrees) | |
---|---|
frozen core | -558.6759119 |
correlated core | -558.6884868 |
difference | -0.0125749 |