III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.8677595 |
correlated core | -2076.8804005 |
difference | -0.0126411 |
Energy (hartrees) | |
---|---|
frozen core | -2076.8677595 |
correlated core | -2076.8804005 |
difference | -0.0126411 |
Energy (hartrees) | |
---|---|
frozen core | -2076.8677595 |
correlated core | -2076.8804005 |
difference | -0.0126411 |
Energy (hartrees) | |
---|---|
frozen core | -2076.8677595 |
correlated core | -2076.8804005 |
difference | -0.0126411 |