III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.1628581 |
correlated core | -225.1684433 |
difference | -0.0055853 |
Energy (hartrees) | |
---|---|
frozen core | -225.1566987 |
correlated core | -225.1684433 |
difference | -0.0117446 |
Energy (hartrees) | |
---|---|
frozen core | -225.1628581 |
correlated core | -225.1622674 |
difference | 0.0005907 |
Energy (hartrees) | |
---|---|
frozen core | -225.1566987 |
correlated core | -225.1622674 |
difference | -0.0055687 |
Energy (hartrees) | |
---|---|
frozen core | -225.1628580 |
correlated core | -225.1584226 |
difference | 0.0044354 |