III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0085051 |
correlated core | -579.0322355 |
difference | -0.0237304 |
Energy (hartrees) | |
---|---|
frozen core | -579.0424885 |
correlated core | -579.0666825 |
difference | -0.0241941 |
Energy (hartrees) | |
---|---|
frozen core | -579.0685862 |
correlated core | -579.0932018 |
difference | -0.0246156 |
Energy (hartrees) | |
---|---|
frozen core | -579.0524848 |
correlated core | -579.0768893 |
difference | -0.0244045 |