III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -364.0606555 |
correlated core | -364.0738172 |
difference | -0.0131617 |
Energy (hartrees) | |
---|---|
frozen core | -364.0606555 |
correlated core | -364.0738172 |
difference | -0.0131617 |
Energy (hartrees) | |
---|---|
frozen core | -364.0606555 |
correlated core | -364.0738172 |
difference | -0.0131617 |
Energy (hartrees) | |
---|---|
frozen core | -364.0606555 |
correlated core | -364.0738172 |
difference | -0.0131617 |