III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -15.8489214 |
correlated core | -15.8933875 |
difference | -0.0444660 |
Energy (hartrees) | |
---|---|
frozen core | -15.8489214 |
correlated core | -15.8933875 |
difference | -0.0444660 |
Energy (hartrees) | |
---|---|
frozen core | -15.8489214 |
correlated core | -15.8933875 |
difference | -0.0444660 |
Energy (hartrees) | |
---|---|
frozen core | -15.8489214 |
correlated core | -15.8933875 |
difference | -0.0444660 |