III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.8914586 |
correlated core | -498.9835381 |
difference | -0.0920794 |
Energy (hartrees) | |
---|---|
frozen core | -498.8914583 |
correlated core | -498.9835381 |
difference | -0.0920797 |
Energy (hartrees) | |
---|---|
frozen core | -498.8914586 |
correlated core | -498.9835379 |
difference | -0.0920792 |
Energy (hartrees) | |
---|---|
frozen core | -498.8914583 |
correlated core | -498.9835379 |
difference | -0.0920795 |