III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -162.1791256 |
correlated core | -162.1930680 |
difference | -0.0139423 |
Energy (hartrees) | |
---|---|
frozen core | -162.1791256 |
correlated core | -162.1930680 |
difference | -0.0139424 |
Energy (hartrees) | |
---|---|
frozen core | -162.1791256 |
correlated core | -162.1930675 |
difference | -0.0139419 |
Energy (hartrees) | |
---|---|
frozen core | -162.1791256 |
correlated core | -162.1930675 |
difference | -0.0139420 |