III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -100.0844497 |
correlated core | -100.0891815 |
difference | -0.0047318 |
Energy (hartrees) | |
---|---|
frozen core | -100.0911194 |
correlated core | -100.0954466 |
difference | -0.0043271 |
Energy (hartrees) | |
---|---|
frozen core | -100.0893032 |
correlated core | -100.0936894 |
difference | -0.0043863 |