III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -14.6168426 |
correlated core | -14.6174071 |
difference | -0.0005645 |
Energy (hartrees) | |
---|---|
frozen core | -14.6168426 |
correlated core | -14.6174071 |
difference | -0.0005645 |
Energy (hartrees) | |
---|---|
frozen core | -14.6168426 |
correlated core | -14.6174071 |
difference | -0.0005645 |
Energy (hartrees) | |
---|---|
frozen core | -14.6168426 |
correlated core | -14.6174071 |
difference | -0.0005645 |