III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -113.1555787 |
correlated core | -113.1804959 |
difference | -0.0249172 |
Energy (hartrees) | |
---|---|
frozen core | -113.1555787 |
correlated core | -113.1804956 |
difference | -0.0249169 |
Energy (hartrees) | |
---|---|
frozen core | -113.1555784 |
correlated core | -113.1804959 |
difference | -0.0249175 |
Energy (hartrees) | |
---|---|
frozen core | -113.1555784 |
correlated core | -113.1804956 |
difference | -0.0249173 |