III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -15.8360354 |
correlated core | -15.8710043 |
difference | -0.0349689 |
Energy (hartrees) | |
---|---|
frozen core | -15.8360354 |
correlated core | -15.8710043 |
difference | -0.0349689 |
Energy (hartrees) | |
---|---|
frozen core | -15.8360354 |
correlated core | -15.8710043 |
difference | -0.0349689 |
Energy (hartrees) | |
---|---|
frozen core | -15.8360354 |
correlated core | -15.8710043 |
difference | -0.0349689 |