III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.8272853 |
correlated core | -459.8885768 |
difference | -0.0612915 |
Energy (hartrees) | |
---|---|
frozen core | -459.8272535 |
correlated core | -459.8885768 |
difference | -0.0613233 |
Energy (hartrees) | |
---|---|
frozen core | -459.8272853 |
correlated core | -459.8885450 |
difference | -0.0612598 |
Energy (hartrees) | |
---|---|
frozen core | -459.8272535 |
correlated core | -459.8885450 |
difference | -0.0612916 |