III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -515.5315034 |
correlated core | -515.5835902 |
difference | -0.0520868 |
Energy (hartrees) | |
---|---|
frozen core | -515.5315037 |
correlated core | -515.5835902 |
difference | -0.0520866 |
Energy (hartrees) | |
---|---|
frozen core | -515.5315034 |
correlated core | -515.5835903 |
difference | -0.0520869 |
Energy (hartrees) | |
---|---|
frozen core | -515.5315037 |
correlated core | -515.5835903 |
difference | -0.0520867 |
Energy (hartrees) | |
---|---|
frozen core | -515.5315034 |
correlated core | -515.5835902 |
difference | -0.0520868 |
Energy (hartrees) | |
---|---|
frozen core | -515.5315037 |
correlated core | -515.5835902 |
difference | -0.0520866 |