III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2878233 |
correlated core | -76.3054043 |
difference | -0.0175810 |
Energy (hartrees) | |
---|---|
frozen core | -76.2878233 |
correlated core | -76.3054037 |
difference | -0.0175804 |
Energy (hartrees) | |
---|---|
frozen core | -76.2878232 |
correlated core | -76.3054043 |
difference | -0.0175811 |
Energy (hartrees) | |
---|---|
frozen core | -76.2878232 |
correlated core | -76.3054037 |
difference | -0.0175805 |