III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.7685056 |
correlated core | -92.8235467 |
difference | -0.0550411 |
Energy (hartrees) | |
---|---|
frozen core | -92.7685054 |
correlated core | -92.8235467 |
difference | -0.0550413 |
Energy (hartrees) | |
---|---|
frozen core | -92.7685056 |
correlated core | -92.8235467 |
difference | -0.0550411 |
Energy (hartrees) | |
---|---|
frozen core | -92.7685054 |
correlated core | -92.8235467 |
difference | -0.0550413 |