III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -39.1155278 |
correlated core | -39.1153418 |
difference | 0.0001860 |
Energy (hartrees) | |
---|---|
frozen core | -39.1155278 |
correlated core | -39.1153418 |
difference | 0.0001860 |
Energy (hartrees) | |
---|---|
frozen core | -39.1155278 |
correlated core | -39.1153418 |
difference | 0.0001860 |
Energy (hartrees) | |
---|---|
frozen core | -39.1155278 |
correlated core | -39.1153418 |
difference | 0.0001860 |
Energy (hartrees) | |
---|---|
frozen core | -39.1150256 |
correlated core | -39.1153418 |
difference | -0.0003161 |
Energy (hartrees) | |
---|---|
frozen core | -39.1150256 |
correlated core | -39.1153418 |
difference | -0.0003161 |