III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -225.2323941 |
correlated core | -225.2843154 |
difference | -0.0519212 |
Energy (hartrees) | |
---|---|
frozen core | -225.2250457 |
correlated core | -225.2843154 |
difference | -0.0592696 |
Energy (hartrees) | |
---|---|
frozen core | -225.2323941 |
correlated core | -225.2769640 |
difference | -0.0445698 |
Energy (hartrees) | |
---|---|
frozen core | -225.2250457 |
correlated core | -225.2769640 |
difference | -0.0519182 |
Energy (hartrees) | |
---|---|
frozen core | -225.2323937 |
correlated core | -225.2843150 |
difference | -0.0519213 |