III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -460.2431132 |
correlated core | -460.2911994 |
difference | -0.0480862 |
Energy (hartrees) | |
---|---|
frozen core | -460.2431132 |
correlated core | -460.2911994 |
difference | -0.0480862 |
Energy (hartrees) | |
---|---|
frozen core | -460.2431133 |
correlated core | -460.2911994 |
difference | -0.0480860 |