III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.8878066 |
correlated core | -498.9782779 |
difference | -0.0904713 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878063 |
correlated core | -498.9782779 |
difference | -0.0904716 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878066 |
correlated core | -498.9782778 |
difference | -0.0904712 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878063 |
correlated core | -498.9782778 |
difference | -0.0904715 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878065 |
correlated core | -498.9782778 |
difference | -0.0904713 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878062 |
correlated core | -498.9782778 |
difference | -0.0904715 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878065 |
correlated core | -498.9782776 |
difference | -0.0904711 |
Energy (hartrees) | |
---|---|
frozen core | -498.8878062 |
correlated core | -498.9782776 |
difference | -0.0904714 |