III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5979694 |
correlated core | -79.6036636 |
difference | -0.0056942 |
Energy (hartrees) | |
---|---|
frozen core | -79.5979695 |
correlated core | -79.6036636 |
difference | -0.0056941 |
Energy (hartrees) | |
---|---|
frozen core | -79.5979694 |
correlated core | -79.6036637 |
difference | -0.0056942 |
Energy (hartrees) | |
---|---|
frozen core | -79.5979695 |
correlated core | -79.6036637 |
difference | -0.0056942 |
Energy (hartrees) | |
---|---|
frozen core | -79.5933413 |
correlated core | -79.5990274 |
difference | -0.0056862 |