III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -398.8105539 |
correlated core | -398.8200489 |
difference | -0.0094950 |
Energy (hartrees) | |
---|---|
frozen core | -398.8106068 |
correlated core | -398.8200489 |
difference | -0.0094422 |
Energy (hartrees) | |
---|---|
frozen core | -398.8106064 |
correlated core | -398.8200489 |
difference | -0.0094425 |