III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.9212687 |
correlated core | -241.9254888 |
difference | -0.0042201 |
Energy (hartrees) | |
---|---|
frozen core | -241.9212687 |
correlated core | -241.9254887 |
difference | -0.0042200 |
Energy (hartrees) | |
---|---|
frozen core | -241.9212686 |
correlated core | -241.9254888 |
difference | -0.0042202 |
Energy (hartrees) | |
---|---|
frozen core | -241.9212686 |
correlated core | -241.9254887 |
difference | -0.0042201 |