III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For (Tetrasulfur tetranitride)Energy (hartrees) | |
---|---|
frozen core | -761.5655565 |
correlated core | -761.8699695 |
difference | -0.3044129 |
Energy (hartrees) | |
---|---|
frozen core | -761.5655565 |
correlated core | -761.8699695 |
difference | -0.3044129 |