III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -114.9947873 |
correlated core | -115.0016497 |
difference | -0.0068623 |
Energy (hartrees) | |
---|---|
frozen core | -114.9947873 |
correlated core | -115.0016487 |
difference | -0.0068613 |
Energy (hartrees) | |
---|---|
frozen core | -114.9947873 |
correlated core | -115.0016497 |
difference | -0.0068623 |
Energy (hartrees) | |
---|---|
frozen core | -114.9947873 |
correlated core | -115.0016487 |
difference | -0.0068613 |
Energy (hartrees) | |
---|---|
frozen core | -114.9957468 |
correlated core | -115.0026334 |
difference | -0.0068866 |