III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6839979 |
correlated core | -79.7434840 |
difference | -0.0594861 |
Energy (hartrees) | |
---|---|
frozen core | -79.6839979 |
correlated core | -79.7434840 |
difference | -0.0594861 |
Energy (hartrees) | |
---|---|
frozen core | -79.6839979 |
correlated core | -79.7434841 |
difference | -0.0594863 |
Energy (hartrees) | |
---|---|
frozen core | -79.6839979 |
correlated core | -79.7434841 |
difference | -0.0594863 |
Energy (hartrees) | |
---|---|
frozen core | -79.6796026 |
correlated core | -79.7390634 |
difference | -0.0594608 |