III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For (Vinyl sulfoxide)Energy (hartrees) | |
---|---|
frozen core | -113.7424707 |
correlated core | -113.7479449 |
difference | -0.0054742 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424707 |
correlated core | -113.7479450 |
difference | -0.0054744 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424708 |
correlated core | -113.7479449 |
difference | -0.0054741 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424708 |
correlated core | -113.7479450 |
difference | -0.0054742 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424711 |
correlated core | -113.7479453 |
difference | -0.0054742 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424711 |
correlated core | -113.7479453 |
difference | -0.0054742 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424711 |
correlated core | -113.7479453 |
difference | -0.0054742 |
Energy (hartrees) | |
---|---|
frozen core | -113.7424711 |
correlated core | -113.7479453 |
difference | -0.0054742 |