III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVDZ
For (diaminomethane)Energy (hartrees) | |
---|---|
frozen core | -1923.2431522 |
correlated core | -1923.2494299 |
difference | -0.0062777 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2431522 |
correlated core | -1923.2494299 |
difference | -0.0062777 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2431522 |
correlated core | -1923.2494299 |
difference | -0.0062777 |
Energy (hartrees) | |
---|---|
frozen core | -1923.2431522 |
correlated core | -1923.2494299 |
difference | -0.0062777 |