III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4226854 |
correlated core | -152.4271016 |
difference | -0.0044162 |
Energy (hartrees) | |
---|---|
frozen core | -152.4226854 |
correlated core | -152.4271016 |
difference | -0.0044162 |
Energy (hartrees) | |
---|---|
frozen core | -152.4226854 |
correlated core | -152.4271029 |
difference | -0.0044175 |
Energy (hartrees) | |
---|---|
frozen core | -152.4226854 |
correlated core | -152.4271029 |
difference | -0.0044175 |