III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -75.7078012 |
correlated core | -75.7096190 |
difference | -0.0018178 |
Energy (hartrees) | |
---|---|
frozen core | -75.7078012 |
correlated core | -75.7096190 |
difference | -0.0018178 |
Energy (hartrees) | |
---|---|
frozen core | -75.7078012 |
correlated core | -75.7096190 |
difference | -0.0018178 |
Energy (hartrees) | |
---|---|
frozen core | -75.7078012 |
correlated core | -75.7096190 |
difference | -0.0018178 |