III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -572.2347733 |
correlated core | -572.2406945 |
difference | -0.0059212 |
Energy (hartrees) | |
---|---|
frozen core | -572.2824089 |
correlated core | -572.2884154 |
difference | -0.0060066 |
Energy (hartrees) | |
---|---|
frozen core | -572.2867804 |
correlated core | -572.2926478 |
difference | -0.0058674 |
Energy (hartrees) | |
---|---|
frozen core | -572.2759473 |
correlated core | -572.2819309 |
difference | -0.0059836 |