III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.3898555 |
correlated core | -1923.5123807 |
difference | -0.1225252 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3898555 |
correlated core | -1923.5123807 |
difference | -0.1225252 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3898558 |
correlated core | -1923.5123807 |
difference | -0.1225249 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3898558 |
correlated core | -1923.5123807 |
difference | -0.1225249 |