III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5345140 |
correlated core | -79.5436876 |
difference | -0.0091736 |
Energy (hartrees) | |
---|---|
frozen core | -79.5345140 |
correlated core | -79.5436876 |
difference | -0.0091736 |
Energy (hartrees) | |
---|---|
frozen core | -79.5345140 |
correlated core | -79.5436876 |
difference | -0.0091736 |
Energy (hartrees) | |
---|---|
frozen core | -79.5345140 |
correlated core | -79.5436876 |
difference | -0.0091736 |
Energy (hartrees) | |
---|---|
frozen core | -79.5296936 |
correlated core | -79.5388659 |
difference | -0.0091723 |