III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0552606 |
correlated core | -579.3038673 |
difference | -0.2486067 |
Energy (hartrees) | |
---|---|
frozen core | -579.0878929 |
correlated core | -579.3369393 |
difference | -0.2490463 |
Energy (hartrees) | |
---|---|
frozen core | -579.1163196 |
correlated core | -579.3658776 |
difference | -0.2495581 |
Energy (hartrees) | |
---|---|
frozen core | -579.0998303 |
correlated core | -579.3491056 |
difference | -0.2492752 |