III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060579 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060579 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |
Energy (hartrees) | |
---|---|
frozen core | -531.7773857 |
correlated core | -531.7834437 |
difference | -0.0060580 |