III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0917255 |
correlated core | -579.1064760 |
difference | -0.0147505 |
Energy (hartrees) | |
---|---|
frozen core | -579.1268734 |
correlated core | -579.1407972 |
difference | -0.0139238 |
Energy (hartrees) | |
---|---|
frozen core | -579.1578140 |
correlated core | -579.1721908 |
difference | -0.0143768 |
Energy (hartrees) | |
---|---|
frozen core | -579.1400064 |
correlated core | -579.1543663 |
difference | -0.0143599 |