III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -78.8684864 |
correlated core | -78.8774980 |
difference | -0.0090116 |
Energy (hartrees) | |
---|---|
frozen core | -78.8685831 |
correlated core | -78.8774980 |
difference | -0.0089150 |
Energy (hartrees) | |
---|---|
frozen core | -78.8685835 |
correlated core | -78.8774980 |
difference | -0.0089146 |