III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -76.9767609 |
correlated core | -76.9792715 |
difference | -0.0025105 |
Energy (hartrees) | |
---|---|
frozen core | -76.9767609 |
correlated core | -76.9792715 |
difference | -0.0025106 |
Energy (hartrees) | |
---|---|
frozen core | -76.9767610 |
correlated core | -76.9792715 |
difference | -0.0025105 |
Energy (hartrees) | |
---|---|
frozen core | -76.9767610 |
correlated core | -76.9792715 |
difference | -0.0025105 |