III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.7703225 |
correlated core | -92.8263728 |
difference | -0.0560503 |
Energy (hartrees) | |
---|---|
frozen core | -92.7703223 |
correlated core | -92.8263728 |
difference | -0.0560505 |
Energy (hartrees) | |
---|---|
frozen core | -92.7703225 |
correlated core | -92.8263728 |
difference | -0.0560503 |
Energy (hartrees) | |
---|---|
frozen core | -92.7703223 |
correlated core | -92.8263728 |
difference | -0.0560505 |