III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For CHFCl (dipotassium dioxide)Energy (hartrees) | |
---|---|
frozen core | -139.5759321 |
correlated core | -139.6354831 |
difference | -0.0595510 |
Energy (hartrees) | |
---|---|
frozen core | -139.5759321 |
correlated core | -139.6354831 |
difference | -0.0595510 |
Energy (hartrees) | |
---|---|
frozen core | -139.5759321 |
correlated core | -139.6354833 |
difference | -0.0595512 |
Energy (hartrees) | |
---|---|
frozen core | -139.5759321 |
correlated core | -139.6354833 |
difference | -0.0595512 |