III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.5536542 |
correlated core | -1923.5608718 |
difference | -0.0072176 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5536543 |
correlated core | -1923.5608718 |
difference | -0.0072175 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5536542 |
correlated core | -1923.5608717 |
difference | -0.0072175 |
Energy (hartrees) | |
---|---|
frozen core | -1923.5536543 |
correlated core | -1923.5608717 |
difference | -0.0072174 |