III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.6987169 |
correlated core | -79.7587486 |
difference | -0.0600317 |
Energy (hartrees) | |
---|---|
frozen core | -79.6987170 |
correlated core | -79.7587486 |
difference | -0.0600316 |
Energy (hartrees) | |
---|---|
frozen core | -79.6987169 |
correlated core | -79.7587486 |
difference | -0.0600317 |
Energy (hartrees) | |
---|---|
frozen core | -79.6987170 |
correlated core | -79.7587486 |
difference | -0.0600317 |
Energy (hartrees) | |
---|---|
frozen core | -79.6943715 |
correlated core | -79.7543797 |
difference | -0.0600081 |