III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.2536915 |
correlated core | -1923.2604306 |
difference | -0.0067391 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2536915 |
correlated core | -1923.2604306 |
difference | -0.0067391 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2536916 |
correlated core | -1923.2604306 |
difference | -0.0067390 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2536916 |
correlated core | -1923.2604306 |
difference | -0.0067390 |