III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -188.2160072 |
correlated core | -188.2671754 |
difference | -0.0511682 |
Energy (hartrees) | |
---|---|
frozen core | -188.2160072 |
correlated core | -188.2671754 |
difference | -0.0511682 |
Energy (hartrees) | |
---|---|
frozen core | -188.2160072 |
correlated core | -188.2671754 |
difference | -0.0511682 |
Energy (hartrees) | |
---|---|
frozen core | -188.2160072 |
correlated core | -188.2671754 |
difference | -0.0511682 |