III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -290.0851864 |
correlated core | -290.0969070 |
difference | -0.0117207 |
Energy (hartrees) | |
---|---|
frozen core | -290.0851864 |
correlated core | -290.0969070 |
difference | -0.0117206 |
Energy (hartrees) | |
---|---|
frozen core | -290.0851864 |
correlated core | -290.0969070 |
difference | -0.0117206 |