III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.2568093 |
correlated core | -1923.2643954 |
difference | -0.0075861 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2568093 |
correlated core | -1923.2643954 |
difference | -0.0075861 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2568094 |
correlated core | -1923.2643954 |
difference | -0.0075860 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2568094 |
correlated core | -1923.2643954 |
difference | -0.0075860 |