III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.0025060 |
correlated core | -79.0346812 |
difference | -0.0321752 |
Energy (hartrees) | |
---|---|
frozen core | -79.0025060 |
correlated core | -79.0346812 |
difference | -0.0321752 |
Energy (hartrees) | |
---|---|
frozen core | -79.0025060 |
correlated core | -79.0346812 |
difference | -0.0321752 |