III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -235.3460089 |
correlated core | -235.3487308 |
difference | -0.0027219 |
Energy (hartrees) | |
---|---|
frozen core | -235.3346738 |
correlated core | -235.3487308 |
difference | -0.0140569 |
Energy (hartrees) | |
---|---|
frozen core | -235.3460089 |
correlated core | -235.3375980 |
difference | 0.0084108 |
Energy (hartrees) | |
---|---|
frozen core | -235.3346738 |
correlated core | -235.3375980 |
difference | -0.0029242 |