III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -340.4395035 |
correlated core | -340.4451299 |
difference | -0.0056263 |
Energy (hartrees) | |
---|---|
frozen core | -340.4395035 |
correlated core | -340.4451299 |
difference | -0.0056263 |
Energy (hartrees) | |
---|---|
frozen core | -340.4395035 |
correlated core | -340.4451299 |
difference | -0.0056263 |
Energy (hartrees) | |
---|---|
frozen core | -340.4395035 |
correlated core | -340.4451299 |
difference | -0.0056263 |