III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.7397101 |
correlated core | -139.8251268 |
difference | -0.0854167 |
Energy (hartrees) | |
---|---|
frozen core | |
correlated core | -139.8251268 |
difference |
Energy (hartrees) | |
---|---|
frozen core | -139.7397101 |
correlated core | -139.8251270 |
difference | -0.0854168 |
Energy (hartrees) | |
---|---|
frozen core | |
correlated core | -139.8251270 |
difference |