III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.3976838 |
correlated core | -1923.4402698 |
difference | -0.0425860 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3976837 |
correlated core | -1923.4402698 |
difference | -0.0425861 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3976838 |
correlated core | -1923.4402696 |
difference | -0.0425858 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3976837 |
correlated core | -1923.4402696 |
difference | -0.0425859 |