III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4508010 |
correlated core | -152.4562404 |
difference | -0.0054394 |
Energy (hartrees) | |
---|---|
frozen core | -152.4508010 |
correlated core | -152.4562404 |
difference | -0.0054394 |
Energy (hartrees) | |
---|---|
frozen core | -152.4508010 |
correlated core | -152.4562403 |
difference | -0.0054393 |
Energy (hartrees) | |
---|---|
frozen core | -152.4508010 |
correlated core | -152.4562403 |
difference | -0.0054393 |