III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -199.6412446 |
correlated core | -199.8166548 |
difference | -0.1754102 |
Energy (hartrees) | |
---|---|
frozen core | -199.6412446 |
correlated core | -199.8166548 |
difference | -0.1754102 |
Energy (hartrees) | |
---|---|
frozen core | -199.6412446 |
correlated core | -199.8166548 |
difference | -0.1754102 |
Energy (hartrees) | |
---|---|
frozen core | -199.6412446 |
correlated core | -199.8166548 |
difference | -0.1754102 |