III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -436.9398371 |
correlated core | -437.3208977 |
difference | -0.3810607 |
Energy (hartrees) | |
---|---|
frozen core | -436.9398371 |
correlated core | -437.3208977 |
difference | -0.3810607 |
Energy (hartrees) | |
---|---|
frozen core | -436.9398371 |
correlated core | -437.3208977 |
difference | -0.3810607 |
Energy (hartrees) | |
---|---|
frozen core | -436.9398371 |
correlated core | -437.3208977 |
difference | -0.3810607 |