III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -399.1125294 |
correlated core | -399.1254014 |
difference | -0.0128721 |
Energy (hartrees) | |
---|---|
frozen core | -399.1140581 |
correlated core | -399.1254014 |
difference | -0.0113433 |
Energy (hartrees) | |
---|---|
frozen core | -399.1125294 |
correlated core | -399.1254020 |
difference | -0.0128726 |
Energy (hartrees) | |
---|---|
frozen core | -399.1140581 |
correlated core | -399.1254020 |
difference | -0.0113439 |