III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -240.4482855 |
correlated core | -240.4544821 |
difference | -0.0061966 |
Energy (hartrees) | |
---|---|
frozen core | -240.4482855 |
correlated core | -240.4544821 |
difference | -0.0061966 |
Energy (hartrees) | |
---|---|
frozen core | -240.4482855 |
correlated core | -240.4544821 |
difference | -0.0061966 |
Energy (hartrees) | |
---|---|
frozen core | -240.4482855 |
correlated core | -240.4544821 |
difference | -0.0061966 |
Energy (hartrees) | |
---|---|
frozen core | -240.5003010 |
correlated core | -240.5070219 |
difference | -0.0067209 |