III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1801530 |
correlated core | -579.2738213 |
difference | -0.0936682 |
Energy (hartrees) | |
---|---|
frozen core | -579.2129035 |
correlated core | -579.3040416 |
difference | -0.0911381 |
Energy (hartrees) | |
---|---|
frozen core | -579.2411443 |
correlated core | -579.3323548 |
difference | -0.0912105 |
Energy (hartrees) | |
---|---|
frozen core | -579.2251480 |
correlated core | -579.3169525 |
difference | -0.0918045 |