III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -75.7308121 |
correlated core | -75.8039864 |
difference | -0.0731744 |
Energy (hartrees) | |
---|---|
frozen core | -75.7308121 |
correlated core | -75.8039864 |
difference | -0.0731744 |
Energy (hartrees) | |
---|---|
frozen core | -75.7308121 |
correlated core | -75.8039864 |
difference | -0.0731744 |
Energy (hartrees) | |
---|---|
frozen core | -75.7308121 |
correlated core | -75.8039864 |
difference | -0.0731744 |