III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For (sulfur difluoride)Energy (hartrees) | |
---|---|
frozen core | -51.9143062 |
correlated core | -51.9717106 |
difference | -0.0574044 |
Energy (hartrees) | |
---|---|
frozen core | -51.9143059 |
correlated core | -51.9717106 |
difference | -0.0574047 |
Energy (hartrees) | |
---|---|
frozen core | -51.9143062 |
correlated core | -51.9717109 |
difference | -0.0574047 |
Energy (hartrees) | |
---|---|
frozen core | -51.9143059 |
correlated core | -51.9717109 |
difference | -0.0574050 |