III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3322164 |
correlated core | -76.3457823 |
difference | -0.0135658 |
Energy (hartrees) | |
---|---|
frozen core | -76.3322164 |
correlated core | -76.3457822 |
difference | -0.0135658 |
Energy (hartrees) | |
---|---|
frozen core | -76.3322163 |
correlated core | -76.3457823 |
difference | -0.0135659 |
Energy (hartrees) | |
---|---|
frozen core | -76.3322163 |
correlated core | -76.3457822 |
difference | -0.0135659 |