III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6002625 |
correlated core | -534.6279184 |
difference | -0.0276559 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002625 |
correlated core | -534.6279184 |
difference | -0.0276559 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002625 |
correlated core | -534.6279184 |
difference | -0.0276559 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002626 |
correlated core | -534.6279184 |
difference | -0.0276558 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002625 |
correlated core | -534.6279184 |
difference | -0.0276559 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002625 |
correlated core | -534.6279184 |
difference | -0.0276559 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002625 |
correlated core | -534.6279184 |
difference | -0.0276559 |
Energy (hartrees) | |
---|---|
frozen core | -534.6002626 |
correlated core | -534.6279184 |
difference | -0.0276558 |