III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5374758 |
correlated core | -79.5428940 |
difference | -0.0054182 |
Energy (hartrees) | |
---|---|
frozen core | -79.5323036 |
correlated core | -79.5377110 |
difference | -0.0054074 |