III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4940062 |
correlated core | -152.4982493 |
difference | -0.0042431 |
Energy (hartrees) | |
---|---|
frozen core | -152.4940062 |
correlated core | -152.4982493 |
difference | -0.0042431 |
Energy (hartrees) | |
---|---|
frozen core | -152.4940062 |
correlated core | -152.4982492 |
difference | -0.0042430 |
Energy (hartrees) | |
---|---|
frozen core | -152.4940062 |
correlated core | -152.4982492 |
difference | -0.0042430 |