III.G.10.a. |
Energy differences between frozen core and full core for CCSD/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2072.9681976 |
correlated core | -2072.9959720 |
difference | -0.0277744 |
Energy (hartrees) | |
---|---|
frozen core | -2072.9681976 |
correlated core | -2072.9959730 |
difference | -0.0277754 |
Energy (hartrees) | |
---|---|
frozen core | -2072.9681986 |
correlated core | -2072.9959720 |
difference | -0.0277734 |
Energy (hartrees) | |
---|---|
frozen core | -2072.9681986 |
correlated core | -2072.9959730 |
difference | -0.0277744 |