III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.6738482 |
correlated core | -152.7013002 |
difference | -0.0274520 |
Energy (hartrees) | |
---|---|
frozen core | -152.6738482 |
correlated core | -152.7013002 |
difference | -0.0274520 |
Energy (hartrees) | |
---|---|
frozen core | -152.6738482 |
correlated core | -152.7013001 |
difference | -0.0274519 |
Energy (hartrees) | |
---|---|
frozen core | -152.6738482 |
correlated core | -152.7013001 |
difference | -0.0274519 |