III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -89.8779440 |
correlated core | -89.9197521 |
difference | -0.0418080 |
Energy (hartrees) | |
---|---|
frozen core | -89.8779440 |
correlated core | -89.9197521 |
difference | -0.0418081 |
Energy (hartrees) | |
---|---|
frozen core | -89.8779440 |
correlated core | -89.9197523 |
difference | -0.0418082 |
Energy (hartrees) | |
---|---|
frozen core | -89.8779440 |
correlated core | -89.9197523 |
difference | -0.0418083 |