III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.8970190 |
correlated core | -498.9450890 |
difference | -0.0480700 |
Energy (hartrees) | |
---|---|
frozen core | -498.8970698 |
correlated core | -498.9450890 |
difference | -0.0480192 |
Energy (hartrees) | |
---|---|
frozen core | -498.8970190 |
correlated core | -498.9450890 |
difference | -0.0480700 |
Energy (hartrees) | |
---|---|
frozen core | -498.8970698 |
correlated core | -498.9450890 |
difference | -0.0480192 |
Energy (hartrees) | |
---|---|
frozen core | -498.8970699 |
correlated core | -498.9450889 |
difference | -0.0480190 |