III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.0733476 |
correlated core | -39.0998457 |
difference | -0.0264981 |
Energy (hartrees) | |
---|---|
frozen core | -39.0733476 |
correlated core | -39.0998456 |
difference | -0.0264980 |
Energy (hartrees) | |
---|---|
frozen core | -39.0733474 |
correlated core | -39.0998457 |
difference | -0.0264982 |
Energy (hartrees) | |
---|---|
frozen core | -39.0733474 |
correlated core | -39.0998456 |
difference | -0.0264982 |