III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.5510753 |
correlated core | -92.6508227 |
difference | -0.0997474 |
Energy (hartrees) | |
---|---|
frozen core | -92.5510753 |
correlated core | -92.6508227 |
difference | -0.0997474 |
Energy (hartrees) | |
---|---|
frozen core | -92.5510753 |
correlated core | -92.6508227 |
difference | -0.0997474 |
Energy (hartrees) | |
---|---|
frozen core | -92.5510753 |
correlated core | -92.6508227 |
difference | -0.0997474 |