III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0511578 |
correlated core | -26.0531210 |
difference | -0.0019632 |
Energy (hartrees) | |
---|---|
frozen core | -26.0511578 |
correlated core | -26.0531211 |
difference | -0.0019633 |
Energy (hartrees) | |
---|---|
frozen core | -26.0511576 |
correlated core | -26.0531210 |
difference | -0.0019634 |
Energy (hartrees) | |
---|---|
frozen core | -26.0511576 |
correlated core | -26.0531211 |
difference | -0.0019635 |
Energy (hartrees) | |
---|---|
frozen core | -26.0511578 |
correlated core | -26.0531210 |
difference | -0.0019633 |
Energy (hartrees) | |
---|---|
frozen core | -26.0511578 |
correlated core | -26.0531211 |
difference | -0.0019633 |
Energy (hartrees) | |
---|---|
frozen core | -26.0462626 |
correlated core | -26.0480843 |
difference | -0.0018217 |