III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.0599833 |
correlated core | -113.1347112 |
difference | -0.0747279 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599829 |
correlated core | -113.1347112 |
difference | -0.0747283 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599829 |
correlated core | -113.1347112 |
difference | -0.0747283 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599833 |
correlated core | -113.1347108 |
difference | -0.0747275 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599829 |
correlated core | -113.1347108 |
difference | -0.0747279 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599829 |
correlated core | -113.1347108 |
difference | -0.0747279 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599833 |
correlated core | -113.1347108 |
difference | -0.0747275 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599829 |
correlated core | -113.1347108 |
difference | -0.0747279 |
Energy (hartrees) | |
---|---|
frozen core | -113.0599829 |
correlated core | -113.1347108 |
difference | -0.0747279 |