III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVQZ
For (Phosphino radical)Energy (hartrees) | |
---|---|
frozen core | -1924.0639901 |
correlated core | -1924.1332051 |
difference | -0.0692150 |
Energy (hartrees) | |
---|---|
frozen core | -1924.0639901 |
correlated core | -1924.1332051 |
difference | -0.0692150 |
Energy (hartrees) | |
---|---|
frozen core | -1924.0639901 |
correlated core | -1924.1332047 |
difference | -0.0692146 |
Energy (hartrees) | |
---|---|
frozen core | -1924.0639901 |
correlated core | -1924.1332047 |
difference | -0.0692146 |