III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -198.4916247 |
correlated core | -198.4950729 |
difference | -0.0034482 |
Energy (hartrees) | |
---|---|
frozen core | -198.4916247 |
correlated core | -198.4950729 |
difference | -0.0034482 |
Energy (hartrees) | |
---|---|
frozen core | -198.4916247 |
correlated core | -198.4950729 |
difference | -0.0034482 |
Energy (hartrees) | |
---|---|
frozen core | -198.4916247 |
correlated core | -198.4950729 |
difference | -0.0034482 |