III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0954792 |
correlated core | -579.1081598 |
difference | -0.0126806 |
Energy (hartrees) | |
---|---|
frozen core | -579.1321542 |
correlated core | -579.1445936 |
difference | -0.0124394 |
Energy (hartrees) | |
---|---|
frozen core | -579.1572540 |
correlated core | -579.1698589 |
difference | -0.0126049 |
Energy (hartrees) | |
---|---|
frozen core | -579.1420729 |
correlated core | -579.1546896 |
difference | -0.0126167 |