III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -558.7761128 |
correlated core | -558.8017418 |
difference | -0.0256290 |
Energy (hartrees) | |
---|---|
frozen core | -558.7761128 |
correlated core | -558.8017418 |
difference | -0.0256290 |
Energy (hartrees) | |
---|---|
frozen core | -558.7761128 |
correlated core | -558.8017418 |
difference | -0.0256290 |
Energy (hartrees) | |
---|---|
frozen core | -558.7761128 |
correlated core | -558.8017418 |
difference | -0.0256290 |