III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4268521 |
correlated core | -152.4313178 |
difference | -0.0044657 |
Energy (hartrees) | |
---|---|
frozen core | -152.4268520 |
correlated core | -152.4313178 |
difference | -0.0044658 |
Energy (hartrees) | |
---|---|
frozen core | -152.4268521 |
correlated core | -152.4313178 |
difference | -0.0044657 |
Energy (hartrees) | |
---|---|
frozen core | -152.4268521 |
correlated core | -152.4313177 |
difference | -0.0044656 |
Energy (hartrees) | |
---|---|
frozen core | -152.4268520 |
correlated core | -152.4313177 |
difference | -0.0044657 |
Energy (hartrees) | |
---|---|
frozen core | -152.4268521 |
correlated core | -152.4313177 |
difference | -0.0044656 |