III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -575.9352168 |
correlated core | -575.9466900 |
difference | -0.0114732 |
Energy (hartrees) | |
---|---|
frozen core | -575.9639537 |
correlated core | -575.9755161 |
difference | -0.0115623 |
Energy (hartrees) | |
---|---|
frozen core | -575.9563520 |
correlated core | -575.9679251 |
difference | -0.0115731 |
Energy (hartrees) | |
---|---|
frozen core | -575.9594949 |
correlated core | -575.9710703 |
difference | -0.0115754 |