III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For (nitrogen monobromide)Energy (hartrees) | |
---|---|
frozen core | -1923.9985920 |
correlated core | -1924.0453546 |
difference | -0.0467626 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9985918 |
correlated core | -1924.0453546 |
difference | -0.0467628 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9985920 |
correlated core | -1924.0453543 |
difference | -0.0467623 |
Energy (hartrees) | |
---|---|
frozen core | -1923.9985918 |
correlated core | -1924.0453543 |
difference | -0.0467625 |