III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3044690 |
correlated core | -90.3114454 |
difference | -0.0069764 |
Energy (hartrees) | |
---|---|
frozen core | -90.3044690 |
correlated core | -90.3114454 |
difference | -0.0069764 |
Energy (hartrees) | |
---|---|
frozen core | -90.3040057 |
correlated core | -90.3113430 |
difference | -0.0073373 |