III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -290.4665739 |
correlated core | -290.5278932 |
difference | -0.0613193 |
Energy (hartrees) | |
---|---|
frozen core | -290.4665739 |
correlated core | -290.5278932 |
difference | -0.0613193 |
Energy (hartrees) | |
---|---|
frozen core | -290.4665739 |
correlated core | -290.5278932 |
difference | -0.0613193 |
Energy (hartrees) | |
---|---|
frozen core | -290.4665739 |
correlated core | -290.5278932 |
difference | -0.0613193 |