III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.8037661 |
correlated core | -92.8622089 |
difference | -0.0584428 |
Energy (hartrees) | |
---|---|
frozen core | -92.8037664 |
correlated core | -92.8622089 |
difference | -0.0584426 |
Energy (hartrees) | |
---|---|
frozen core | -92.8037661 |
correlated core | -92.8622092 |
difference | -0.0584431 |
Energy (hartrees) | |
---|---|
frozen core | -92.8037664 |
correlated core | -92.8622092 |
difference | -0.0584428 |