III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.5562449 |
correlated core | -152.5608626 |
difference | -0.0046177 |
Energy (hartrees) | |
---|---|
frozen core | -152.5562451 |
correlated core | -152.5608626 |
difference | -0.0046175 |
Energy (hartrees) | |
---|---|
frozen core | -152.5562449 |
correlated core | -152.5608626 |
difference | -0.0046177 |
Energy (hartrees) | |
---|---|
frozen core | -152.5562451 |
correlated core | -152.5608626 |
difference | -0.0046175 |