III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For (Selenium monohydride)Energy (hartrees) | |
---|---|
frozen core | -169.2949861 |
correlated core | -169.3086551 |
difference | -0.0136689 |
Energy (hartrees) | |
---|---|
frozen core | -169.2949861 |
correlated core | -169.3086550 |
difference | -0.0136689 |
Energy (hartrees) | |
---|---|
frozen core | -169.2949861 |
correlated core | -169.3086551 |
difference | -0.0136690 |
Energy (hartrees) | |
---|---|
frozen core | -169.2949861 |
correlated core | -169.3086550 |
difference | -0.0136689 |