III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -515.1527487 |
correlated core | -515.1565866 |
difference | -0.0038380 |
Energy (hartrees) | |
---|---|
frozen core | -515.1527488 |
correlated core | -515.1565866 |
difference | -0.0038378 |
Energy (hartrees) | |
---|---|
frozen core | -515.1527487 |
correlated core | -515.1565868 |
difference | -0.0038381 |
Energy (hartrees) | |
---|---|
frozen core | -515.1527488 |
correlated core | -515.1565868 |
difference | -0.0038380 |