III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2703883 |
correlated core | -2075.3374303 |
difference | -0.0670420 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2703883 |
correlated core | -2075.3374303 |
difference | -0.0670420 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2703883 |
correlated core | -2075.3374303 |
difference | -0.0670420 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2703883 |
correlated core | -2075.3374303 |
difference | -0.0670420 |