III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -112.6278739 |
correlated core | -112.6525261 |
difference | -0.0246523 |
Energy (hartrees) | |
---|---|
frozen core | -112.6278739 |
correlated core | -112.6525261 |
difference | -0.0246523 |
Energy (hartrees) | |
---|---|
frozen core | -112.6278739 |
correlated core | -112.6525261 |
difference | -0.0246523 |
Energy (hartrees) | |
---|---|
frozen core | -112.6278739 |
correlated core | -112.6525261 |
difference | -0.0246523 |