III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -39.9276697 |
correlated core | -39.9300376 |
difference | -0.0023679 |
Energy (hartrees) | |
---|---|
frozen core | -39.8746863 |
correlated core | -39.8770859 |
difference | -0.0023997 |
Energy (hartrees) | |
---|---|
frozen core | -39.9228632 |
correlated core | -39.9253202 |
difference | -0.0024570 |