III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -77.0816679 |
correlated core | -77.0914579 |
difference | -0.0097900 |
Energy (hartrees) | |
---|---|
frozen core | -77.0816679 |
correlated core | -77.0914579 |
difference | -0.0097900 |
Energy (hartrees) | |
---|---|
frozen core | -77.0816680 |
correlated core | -77.0914579 |
difference | -0.0097899 |
Energy (hartrees) | |
---|---|
frozen core | -77.0816680 |
correlated core | -77.0914579 |
difference | -0.0097899 |