III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2750270 |
correlated core | -76.2773369 |
difference | -0.0023099 |
Energy (hartrees) | |
---|---|
frozen core | -76.2750267 |
correlated core | -76.2773369 |
difference | -0.0023101 |
Energy (hartrees) | |
---|---|
frozen core | -76.2750270 |
correlated core | -76.2773367 |
difference | -0.0023097 |
Energy (hartrees) | |
---|---|
frozen core | -76.2750267 |
correlated core | -76.2773367 |
difference | -0.0023099 |