III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -483.8870340 |
correlated core | -483.8961418 |
difference | -0.0091078 |
Energy (hartrees) | |
---|---|
frozen core | -483.8870340 |
correlated core | -483.8961418 |
difference | -0.0091078 |
Energy (hartrees) | |
---|---|
frozen core | -483.8870340 |
correlated core | -483.8961418 |
difference | -0.0091078 |
Energy (hartrees) | |
---|---|
frozen core | -483.8870340 |
correlated core | -483.8961418 |
difference | -0.0091078 |