III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1609629 |
correlated core | -579.2523769 |
difference | -0.0914141 |
Energy (hartrees) | |
---|---|
frozen core | -579.1924592 |
correlated core | -579.2811164 |
difference | -0.0886572 |
Energy (hartrees) | |
---|---|
frozen core | -579.2253873 |
correlated core | -579.3143231 |
difference | -0.0889358 |
Energy (hartrees) | |
---|---|
frozen core | -579.2071455 |
correlated core | -579.2966687 |
difference | -0.0895232 |