III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9417582 |
correlated core | -288.9468684 |
difference | -0.0051102 |
Energy (hartrees) | |
---|---|
frozen core | -288.9417582 |
correlated core | -288.9468450 |
difference | -0.0050867 |
Energy (hartrees) | |
---|---|
frozen core | -288.9417348 |
correlated core | -288.9468684 |
difference | -0.0051336 |
Energy (hartrees) | |
---|---|
frozen core | -288.9417348 |
correlated core | -288.9468450 |
difference | -0.0051102 |