III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For (Ammonium chloride)Energy (hartrees) | |
---|---|
frozen core | -161.9150560 |
correlated core | -161.9156710 |
difference | -0.0006150 |
Energy (hartrees) | |
---|---|
frozen core | -161.9150560 |
correlated core | -161.9156709 |
difference | -0.0006149 |
Energy (hartrees) | |
---|---|
frozen core | -161.9150559 |
correlated core | -161.9156710 |
difference | -0.0006151 |
Energy (hartrees) | |
---|---|
frozen core | -161.9150559 |
correlated core | -161.9156709 |
difference | -0.0006150 |