III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1193.0045658 |
correlated core | -1193.6398226 |
difference | -0.6352568 |
Energy (hartrees) | |
---|---|
frozen core | -1193.0045658 |
correlated core | -1193.6398226 |
difference | -0.6352568 |
Energy (hartrees) | |
---|---|
frozen core | -1193.0045658 |
correlated core | -1193.6398226 |
difference | -0.6352568 |
Energy (hartrees) | |
---|---|
frozen core | -1193.0045658 |
correlated core | -1193.6398226 |
difference | -0.6352568 |