III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -176.0675770 |
correlated core | -176.0801462 |
difference | -0.0125692 |
Energy (hartrees) | |
---|---|
frozen core | -176.0675770 |
correlated core | -176.0801462 |
difference | -0.0125692 |
Energy (hartrees) | |
---|---|
frozen core | -176.0675770 |
correlated core | -176.0801462 |
difference | -0.0125691 |
Energy (hartrees) | |
---|---|
frozen core | -176.0675770 |
correlated core | -176.0801462 |
difference | -0.0125692 |